PENTANEDIOIC ACID, BIS((1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL) ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H44O4
Molecular Weight	408.6145
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTANEDIOIC ACID, BIS((1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL) ESTER

Structure Search

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C

InChI

InChIKey=IVFWZYOGAYVLRF-WSJQOYCOSA-N

InChI=1S/C25H44O4/c1-16(2)20-12-10-18(5)14-22(20)28-24(26)8-7-9-25(27)29-23-15-19(6)11-13-21(23)17(3)4/h16-23H,7-15H2,1-6H3/t18-,19-,20+,21+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H44O4
Molecular Weight	408.6145
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:05:32 GMT 2025` Edited by `admin` on `Mon Mar 31 23:05:32 GMT 2025`
Record UNII	R9DF6D572P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTANEDIOIC ACID, BIS((1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL) ESTER

Systematic Name

English

BIS((1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL) PENTANEDIOATE

Preferred Name

English

Code System Code Type Description

FDA UNII

R9DF6D572P

Created by admin on Mon Mar 31 23:05:32 GMT 2025 , Edited by admin on Mon Mar 31 23:05:32 GMT 2025

PRIMARY

CAS

77304-30-4

Created by admin on Mon Mar 31 23:05:32 GMT 2025 , Edited by admin on Mon Mar 31 23:05:32 GMT 2025

PRIMARY

PUBCHEM

68002563

Created by admin on Mon Mar 31 23:05:32 GMT 2025 , Edited by admin on Mon Mar 31 23:05:32 GMT 2025

PRIMARY

Related Record Type Details


					SM86RHY7GL

PENTANEDIOIC ACID, 1,5-BIS((1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL) ESTER, REL-

RACEMATE -> ENANTIOMER

Amount: