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

C15H26O2 — CID 23158017

IUPAC4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCC2OC2C1
InChIInChI=1S/C15H26O2/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13-14(9-11)17-13/h10-14,16H,3-9H2,1-2H3
InChIKeyXSMDDPYAOMGQEK-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.13
Rot. Bonds2

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

4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol (PubChem CID 23158017) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol
PubChem CID23158017
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCC(O)CC1)C1CCC2OC2C1
InChIInChI=1S/C15H26O2/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13-14(9-11)17-13/h10-14,16H,3-9H2,1-2H3
InChIKeyXSMDDPYAOMGQEK-UHFFFAOYSA-N
XLogP3.13
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.13
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)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol (CID 23158017) is 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol is CC(C)(C1CCC(O)CC1)C1CCC2OC2C1.
What is the InChIKey of 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol?
The InChIKey is XSMDDPYAOMGQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13-14(9-11)17-13/h10-14,16H,3-9H2,1-2H3.
What are the key properties of 4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol?
4-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]cyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.13, 2 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)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 23158017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).