1-prop-1-en-2-ylcyclohexane-1-carboxylic acid

C10H16O2 — CID 20575445

IUPAC1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C10H16O2/c1-8(2)10(9(11)12)6-4-3-5-7-10/h1,3-7H2,2H3,(H,11,12)
InChIKeyQPNRIKDEDLTTGP-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds2

About 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid

1-prop-1-en-2-ylcyclohexane-1-carboxylic acid (PubChem CID 20575445) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
PubChem CID20575445
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C10H16O2/c1-8(2)10(9(11)12)6-4-3-5-7-10/h1,3-7H2,2H3,(H,11,12)
InChIKeyQPNRIKDEDLTTGP-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;cyclohexane-1,1-dicarboxylic acid;methanol
CID 67028840
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CID 132573281
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclooctane-1,1-dicarboxylic acid
CID 18521139
cadmium;cyclohexane-1,1-dicarboxylic acid
CID 175391690
alumane;cyclohexane-1,1-dicarboxylic acid
CID 175587551
cyclohexane-1,1-dicarboxylic acid;zinc
CID 134612672
cyclopentane-1,1-dicarboxylic acid;dihydrobromide
CID 90449229
4-ethenyl-4-methyl-1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
CID 143093730
1-(2,2-dimethylpropanoyl)cyclohexane-1-carboxylic acid
CID 58728065
CID 69418768
CID 69418768
1-[4-(2-methylprop-2-enoyloxy)butoxycarbonyl]cyclohexane-1-carboxylic acid
CID 141441045

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid (CID 20575445) is 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid is C=C(C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is QPNRIKDEDLTTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)10(9(11)12)6-4-3-5-7-10/h1,3-7H2,2H3,(H,11,12).
What are the key properties of 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
1-prop-1-en-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 20575445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).