1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid

C16H26O2 — CID 174583937

IUPAC1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1CCCCC1(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H26O2/c1-2-8-13-11-6-7-12-16(13,15(17)18)14-9-4-3-5-10-14/h2,13-14H,1,3-12H2,(H,17,18)
InChIKeyONVLMKBSOYPXCT-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.40
Rot. Bonds4

About 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid

1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid (PubChem CID 174583937) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid
PubChem CID174583937
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid
SMILESC=CCC1CCCCC1(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H26O2/c1-2-8-13-11-6-7-12-16(13,15(17)18)14-9-4-3-5-10-14/h2,13-14H,1,3-12H2,(H,17,18)
InChIKeyONVLMKBSOYPXCT-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid (CID 174583937) is 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid is C=CCC1CCCCC1(C(=O)O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid?
The InChIKey is ONVLMKBSOYPXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-8-13-11-6-7-12-16(13,15(17)18)14-9-4-3-5-10-14/h2,13-14H,1,3-12H2,(H,17,18).
What are the key properties of 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid?
1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid has a molecular weight of 250.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 174583937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).