3-METHYLPENTANE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H14
Molecular Weight	86.1754
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYLPENTANE

SMILES

CCC(C)CC

InChI

InChIKey=PFEOZHBOMNWTJB-UHFFFAOYSA-N

InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C6H14
Molecular Weight	86.1754
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

PubMed

Show entries

Title	Date	PubMed
Nanometer-resolved interfacial fluidity.	2003 Apr 30	12708869
Study of the chemistry of ortho- and para-biphenylnitrenes by laser flash photolysis and time-resolved IR experiments and by B3LYP and CASPT2 calculations.	2003 Aug 6	12889963
Volatile organic profiles and photochemical potentials from motorcycle engine exhaust.	2003 May	12774984
The complex photochromic behaviour of 5,6-benzo(2H)dimethylchromene in 3-methylpentane solution.	2003 Oct	14606759
Photochemistry of ortho, ortho' dialkyl phenyl azides.	2003 Oct 1	14505423

Showing 1 to 5 of 21 entries

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Substance Class	Chemical
Record UNII	XD8O3ML76T
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

3-METHYLPENTANE

Systematic Name

English

NSC-66497

Code

English

1,2-DIMETHYLBUTENE

Systematic Name

English

PENTANE, 3-METHYL-

Systematic Name

English

Showing 1 to 4 of 4 entries

Show entries

Code System

Code

Type

Description

CHEBI

88373

PRIMARY

ECHA (EC/EINECS)

202-481-4

PRIMARY

NSC

66497

PRIMARY

HSDB

5300

PRIMARY

FDA UNII

XD8O3ML76T

PRIMARY

Showing 1 to 5 of 9 entries

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