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

C15H26O2 — CID 23158062

IUPAC4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol
SMILESOC1CCC(CCCC2CCC3OC3C2)CC1
InChIInChI=1S/C15H26O2/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14-15(10-12)17-14/h11-16H,1-10H2
InChIKeyMIJGCSAXFOMUSO-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.28
Rot. Bonds4

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

4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol (PubChem CID 23158062) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol
PubChem CID23158062
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol
SMILESOC1CCC(CCCC2CCC3OC3C2)CC1
InChIInChI=1S/C15H26O2/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14-15(10-12)17-14/h11-16H,1-10H2
InChIKeyMIJGCSAXFOMUSO-UHFFFAOYSA-N
XLogP3.28
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.28
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-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol (CID 23158062) is 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol is OC1CCC(CCCC2CCC3OC3C2)CC1.
What is the InChIKey of 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol?
The InChIKey is MIJGCSAXFOMUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14-15(10-12)17-14/h11-16H,1-10H2.
What are the key properties of 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol?
4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl]cyclohexan-1-ol is sourced from PubChem (CID 23158062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).