3-(cyclohexen-1-yl)oxolan-3-ol

C10H16O2 — CID 106650904

IUPAC3-(cyclohexen-1-yl)oxolan-3-ol
SMILESOC1(C2=CCCCC2)CCOC1
InChIInChI=1S/C10H16O2/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h4,11H,1-3,5-8H2
InChIKeyHSHQBVDYJYXZJI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds1

About 3-(cyclohexen-1-yl)oxolan-3-ol

3-(cyclohexen-1-yl)oxolan-3-ol (PubChem CID 106650904) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)oxolan-3-ol
PubChem CID106650904
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(cyclohexen-1-yl)oxolan-3-ol
SMILESOC1(C2=CCCCC2)CCOC1
InChIInChI=1S/C10H16O2/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h4,11H,1-3,5-8H2
InChIKeyHSHQBVDYJYXZJI-UHFFFAOYSA-N
XLogP1.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 3-(cyclohexen-1-yl)oxolan-3-ol?
The IUPAC name of 3-(cyclohexen-1-yl)oxolan-3-ol (CID 106650904) is 3-(cyclohexen-1-yl)oxolan-3-ol.
What is the SMILES notation for 3-(cyclohexen-1-yl)oxolan-3-ol?
The canonical SMILES for 3-(cyclohexen-1-yl)oxolan-3-ol is OC1(C2=CCCCC2)CCOC1.
What is the InChIKey of 3-(cyclohexen-1-yl)oxolan-3-ol?
The InChIKey is HSHQBVDYJYXZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h4,11H,1-3,5-8H2.
What are the key properties of 3-(cyclohexen-1-yl)oxolan-3-ol?
3-(cyclohexen-1-yl)oxolan-3-ol has a molecular weight of 168.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)oxolan-3-ol is sourced from PubChem (CID 106650904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).