1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid

C28H48O3 — CID 159686887

IUPAC1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid
SMILESCC(=O)C1(CCCCCCC=CCCCCCCCC2(C(=O)O)CCCC2)CCCC1
InChIInChI=1S/C28H48O3/c1-25(29)27(20-15-16-21-27)19-13-11-9-7-5-3-2-4-6-8-10-12-14-22-28(26(30)31)23-17-18-24-28/h2-3H,4-24H2,1H3,(H,30,31)
InChIKeyWNIQGEVXUOQWDF-UHFFFAOYSA-N
MW432.69 g/mol
LogP8.41
Rot. Bonds17

About 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid

1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid (PubChem CID 159686887) has the molecular formula C28H48O3 and a molecular weight of 432.69 g/mol. Its IUPAC name is 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid
PubChem CID159686887
Molecular FormulaC28H48O3
Molecular Weight432.69 g/mol
Exact Mass432.36
IUPAC Name1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid
SMILESCC(=O)C1(CCCCCCC=CCCCCCCCC2(C(=O)O)CCCC2)CCCC1
InChIInChI=1S/C28H48O3/c1-25(29)27(20-15-16-21-27)19-13-11-9-7-5-3-2-4-6-8-10-12-14-22-28(26(30)31)23-17-18-24-28/h2-3H,4-24H2,1H3,(H,30,31)
InChIKeyWNIQGEVXUOQWDF-UHFFFAOYSA-N
XLogP8.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[11-(1-carboxycyclobutyl)undec-6-enyl]cyclobutane-1-carboxylic acid
CID 159161773
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid
CID 145356488
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-[4-[4-[6-(1-acetylcyclopropyl)hexyl]phenyl]butyl]cyclopropane-1-carboxylic acid
CID 164595037
1-[(octadec-9-enylamino)methyl]cyclohexane-1-carboxylic acid
CID 54131108
1-[6-[2-[6-(1-acetylcyclopropyl)hexyl]phenyl]hexyl]cyclopropane-1-carboxylic acid
CID 164595174
1-(1-octylcyclopropyl)ethanone
CID 22042371
1-nonylcyclopropane-1-carboxylic acid
CID 54124337

Frequently Asked Questions

What is the IUPAC name of 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid (CID 159686887) is 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid is CC(=O)C1(CCCCCCC=CCCCCCCCC2(C(=O)O)CCCC2)CCCC1.
What is the InChIKey of 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid?
The InChIKey is WNIQGEVXUOQWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O3/c1-25(29)27(20-15-16-21-27)19-13-11-9-7-5-3-2-4-6-8-10-12-14-22-28(26(30)31)23-17-18-24-28/h2-3H,4-24H2,1H3,(H,30,31).
What are the key properties of 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid?
1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid has a molecular weight of 432.69 g/mol, XLogP of 8.41, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 159686887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).