4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol

C14H24O2 — CID 23158075

IUPAC4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol
SMILESOC1CCC(CCC2CCC3OC3C2)CC1
InChIInChI=1S/C14H24O2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13-14(9-11)16-13/h10-15H,1-9H2
InChIKeyDENWVDLXUGSCFH-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.89
Rot. Bonds3

About 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol

4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol (PubChem CID 23158075) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol
PubChem CID23158075
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol
SMILESOC1CCC(CCC2CCC3OC3C2)CC1
InChIInChI=1S/C14H24O2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13-14(9-11)16-13/h10-15H,1-9H2
InChIKeyDENWVDLXUGSCFH-UHFFFAOYSA-N
XLogP2.89
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol (CID 23158075) is 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol is OC1CCC(CCC2CCC3OC3C2)CC1.
What is the InChIKey of 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol?
The InChIKey is DENWVDLXUGSCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13-14(9-11)16-13/h10-15H,1-9H2.
What are the key properties of 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol?
4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol has a molecular weight of 224.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 23158075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).