1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid

C19H32O4 — CID 19090977

IUPAC1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCC2(C(=O)O)CCCCC2)CCCCC1
InChIInChI=1S/C19H32O4/c20-16(21)18(10-4-1-5-11-18)14-8-3-9-15-19(17(22)23)12-6-2-7-13-19/h1-15H2,(H,20,21)(H,22,23)
InChIKeyGZJYMGAIYXVCCI-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.01
Rot. Bonds8

About 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid

1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid (PubChem CID 19090977) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
PubChem CID19090977
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCC2(C(=O)O)CCCCC2)CCCCC1
InChIInChI=1S/C19H32O4/c20-16(21)18(10-4-1-5-11-18)14-8-3-9-15-19(17(22)23)12-6-2-7-13-19/h1-15H2,(H,20,21)(H,22,23)
InChIKeyGZJYMGAIYXVCCI-UHFFFAOYSA-N
XLogP5.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 54469920
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1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
1-[11-(1-carboxycyclobutyl)undec-6-enyl]cyclobutane-1-carboxylic acid
CID 159161773
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-(4-ethenoxybutyl)cyclohexane-1-carboxylic acid
CID 19881487
1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid
CID 159686887

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid (CID 19090977) is 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid is O=C(O)C1(CCCCCC2(C(=O)O)CCCCC2)CCCCC1.
What is the InChIKey of 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid?
The InChIKey is GZJYMGAIYXVCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c20-16(21)18(10-4-1-5-11-18)14-8-3-9-15-19(17(22)23)12-6-2-7-13-19/h1-15H2,(H,20,21)(H,22,23).
What are the key properties of 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid?
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid has a molecular weight of 324.46 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19090977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).