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

C17H30O2 — CID 23158071

IUPAC4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol
SMILESCCC(CC)(C1CCC(O)CC1)C1CCC2OC2C1
InChIInChI=1S/C17H30O2/c1-3-17(4-2,12-5-8-14(18)9-6-12)13-7-10-15-16(11-13)19-15/h12-16,18H,3-11H2,1-2H3
InChIKeyAPQPBLCBYQWMJY-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.91
Rot. Bonds4

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

4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol (PubChem CID 23158071) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol
PubChem CID23158071
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol
SMILESCCC(CC)(C1CCC(O)CC1)C1CCC2OC2C1
InChIInChI=1S/C17H30O2/c1-3-17(4-2,12-5-8-14(18)9-6-12)13-7-10-15-16(11-13)19-15/h12-16,18H,3-11H2,1-2H3
InChIKeyAPQPBLCBYQWMJY-UHFFFAOYSA-N
XLogP3.91
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.91
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)pentan-3-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol (CID 23158071) is 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol is CCC(CC)(C1CCC(O)CC1)C1CCC2OC2C1.
What is the InChIKey of 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol?
The InChIKey is APQPBLCBYQWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-17(4-2,12-5-8-14(18)9-6-12)13-7-10-15-16(11-13)19-15/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol?
4-[3-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-3-yl]cyclohexan-1-ol has a molecular weight of 266.42 g/mol, XLogP of 3.91, 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)pentan-3-yl]cyclohexan-1-ol is sourced from PubChem (CID 23158071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).