2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid

C27H48O6 — CID 70611379

IUPAC2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1CC(CCC(O)C(O)C2CCCCC2)CC1CCC(O)C(O)C1CCCCC1
InChIInChI=1S/C27H48O6/c28-23(26(32)19-7-3-1-4-8-19)13-11-18-15-21(22(16-18)17-25(30)31)12-14-24(29)27(33)20-9-5-2-6-10-20/h18-24,26-29,32-33H,1-17H2,(H,30,31)
InChIKeyAWVNGZFSDAUTGV-UHFFFAOYSA-N
MW468.68 g/mol
LogP4.27
Rot. Bonds12

About 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid

2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid (PubChem CID 70611379) has the molecular formula C27H48O6 and a molecular weight of 468.68 g/mol. Its IUPAC name is 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid
PubChem CID70611379
Molecular FormulaC27H48O6
Molecular Weight468.68 g/mol
Exact Mass468.35
IUPAC Name2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1CC(CCC(O)C(O)C2CCCCC2)CC1CCC(O)C(O)C1CCCCC1
InChIInChI=1S/C27H48O6/c28-23(26(32)19-7-3-1-4-8-19)13-11-18-15-21(22(16-18)17-25(30)31)12-14-24(29)27(33)20-9-5-2-6-10-20/h18-24,26-29,32-33H,1-17H2,(H,30,31)
InChIKeyAWVNGZFSDAUTGV-UHFFFAOYSA-N
XLogP4.27
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 54.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R)-4-[(2S)-2-aminocyclohexyl]-1-cyclopropylbutane-1,2-diol
CID 67852061
(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid
CID 157381240
2-[(1R,2R,3R,5S)-2-(4-cyclohexyl-3-hydroxybutyl)-3,5-dihydroxycyclopentyl]acetic acid
CID 70610820
8-cyclodecyl-8-hydroxyoctanoic acid
CID 150565467
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
6-cyclohexyl-5-methylhexanoic acid
CID 70072548
4,4-dicyclohexylbutanoic acid
CID 19041232
1-cyclohexyldodecane-1,2-diol
CID 103459050
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid (CID 70611379) is 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid is O=C(O)CC1CC(CCC(O)C(O)C2CCCCC2)CC1CCC(O)C(O)C1CCCCC1.
What is the InChIKey of 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid?
The InChIKey is AWVNGZFSDAUTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O6/c28-23(26(32)19-7-3-1-4-8-19)13-11-18-15-21(22(16-18)17-25(30)31)12-14-24(29)27(33)20-9-5-2-6-10-20/h18-24,26-29,32-33H,1-17H2,(H,30,31).
What are the key properties of 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid?
2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid has a molecular weight of 468.68 g/mol, XLogP of 4.27, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(4-cyclohexyl-3,4-dihydroxybutyl)cyclopentyl]acetic acid is sourced from PubChem (CID 70611379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).