1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid

C11H16O3 — CID 116659348

IUPAC1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2=CCCCC2)CC(O)C1
InChIInChI=1S/C11H16O3/c12-9-6-11(7-9,10(13)14)8-4-2-1-3-5-8/h4,9,12H,1-3,5-7H2,(H,13,14)
InChIKeyJVMPILPHMFGECQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.71
Rot. Bonds2

About 1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid

1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 116659348) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID116659348
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2=CCCCC2)CC(O)C1
InChIInChI=1S/C11H16O3/c12-9-6-11(7-9,10(13)14)8-4-2-1-3-5-8/h4,9,12H,1-3,5-7H2,(H,13,14)
InChIKeyJVMPILPHMFGECQ-UHFFFAOYSA-N
XLogP1.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid (CID 116659348) is 1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid is O=C(O)C1(C2=CCCCC2)CC(O)C1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is JVMPILPHMFGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-6-11(7-9,10(13)14)8-4-2-1-3-5-8/h4,9,12H,1-3,5-7H2,(H,13,14).
What are the key properties of 1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid?
1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 116659348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).