4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol

C13H22O2 — CID 23158070

IUPAC4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(CC2CCC3OC3C2)CC1
InChIInChI=1S/C13H22O2/c14-11-4-1-9(2-5-11)7-10-3-6-12-13(8-10)15-12/h9-14H,1-8H2
InChIKeyFQGLQNQMBRIKFS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.50
Rot. Bonds2

About 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol

4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol (PubChem CID 23158070) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol
PubChem CID23158070
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(CC2CCC3OC3C2)CC1
InChIInChI=1S/C13H22O2/c14-11-4-1-9(2-5-11)7-10-3-6-12-13(8-10)15-12/h9-14H,1-8H2
InChIKeyFQGLQNQMBRIKFS-UHFFFAOYSA-N
XLogP2.50
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.50
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-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol (CID 23158070) is 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol is OC1CCC(CC2CCC3OC3C2)CC1.
What is the InChIKey of 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol?
The InChIKey is FQGLQNQMBRIKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-11-4-1-9(2-5-11)7-10-3-6-12-13(8-10)15-12/h9-14H,1-8H2.
What are the key properties of 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol?
4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 23158070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).