ISOPRENE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H8
Molecular Weight	68.117
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOPRENE

SMILES

CC(=C)C=C

InChI

InChIKey=RRHGJUQNOFWUDK-UHFFFAOYSA-N

InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

HIDE SMILES / InChI

Molecular Formula	C5H8
Molecular Weight	68.117
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Isoprenoid biosynthesis via 1-deoxy-D-xylulose 5-phosphate/2-C-methyl-D-erythritol 4-phosphate (DOXP/MEP) pathway.	2001	11833775
Modelling the responses to biological reactive intermediates: establishing the borderlines of risk.	2001	11764997
Real time analysis of breath volatiles using SIFT-MS in cigarette smoking.	2001	11523595
Comparison of gas-phase free-radical populations in tobacco smoke and model systems by HPLC.	2001 Aug	11564610
Breath isoprene in patients with heart failure.	2001 Aug	11511427

Showing 1 to 5 of 50 entries

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Patents

Substance Class	Chemical
Record UNII	0A62964IBU
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

NSC-9237

Preferred Name

English

ISOPRENE

Systematic Name

English

2-METHYL-1,3-BUTADIENE

Systematic Name

English

ISOPRENE [IARC]

Common Name

English

2-METHYLBUTADIENE

Systematic Name

English

Showing 1 to 5 of 9 entries

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Show entries

Classification Tree

Code System

Code

Organic Carcinogen

NCI_THESAURUS

C44351

Showing 1 to 1 of 1 entries

Show entries

Code System

Code

Type

Description

NCI_THESAURUS

C29824

PRIMARY

MESH

C005059

PRIMARY

FDA UNII

0A62964IBU

PRIMARY

DAILYMED

0A62964IBU

PRIMARY

EPA CompTox

DTXSID2020761

PRIMARY

Showing 1 to 5 of 15 entries

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