3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid

C11H16O4 — CID 66952306

IUPAC3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
SMILESC=CCOC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C11H16O4/c1-2-6-15-11(14)9-5-3-4-8(7-9)10(12)13/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeyFWLJICJTGFEBLY-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.61
Rot. Bonds4

About 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid

3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 66952306) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
PubChem CID66952306
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
SMILESC=CCOC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C11H16O4/c1-2-6-15-11(14)9-5-3-4-8(7-9)10(12)13/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeyFWLJICJTGFEBLY-UHFFFAOYSA-N
XLogP1.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
CID 22715247
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
prop-2-enyl cyclododecanecarboxylate
CID 139624721
3-(2-methylpropoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983583
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
3-octoxycarbonylcyclohexane-1-carboxylic acid
CID 66983644
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 106320412
2-oxoethyl cyclobutanecarboxylate
CID 155591676
prop-2-enyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 87574212
4-hepta-2,6-dienoxycarbonylcyclohexane-1-carboxylic acid
CID 141044900
3-dodecoxycarbonylcyclohexane-1-carboxylic acid;ethane-1,2-diol
CID 66984416

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid (CID 66952306) is 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid is C=CCOC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is FWLJICJTGFEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-6-15-11(14)9-5-3-4-8(7-9)10(12)13/h2,8-9H,1,3-7H2,(H,12,13).
What are the key properties of 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 66952306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).