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

C20H32O3 — CID 23158063

IUPAC4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol
SMILESCC(C1CCC(O)CC1)(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C20H32O3/c1-20(12-2-6-15(21)7-3-12,13-4-8-16-18(10-13)22-16)14-5-9-17-19(11-14)23-17/h12-19,21H,2-11H2,1H3
InChIKeyLMZVDRYEUPAYMF-UHFFFAOYSA-N
MW320.47 g/mol
LogP3.68
Rot. Bonds3

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

4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol (PubChem CID 23158063) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol
PubChem CID23158063
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol
SMILESCC(C1CCC(O)CC1)(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C20H32O3/c1-20(12-2-6-15(21)7-3-12,13-4-8-16-18(10-13)22-16)14-5-9-17-19(11-14)23-17/h12-19,21H,2-11H2,1H3
InChIKeyLMZVDRYEUPAYMF-UHFFFAOYSA-N
XLogP3.68
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol (CID 23158063) is 4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol is CC(C1CCC(O)CC1)(C1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of 4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol?
The InChIKey is LMZVDRYEUPAYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-20(12-2-6-15(21)7-3-12,13-4-8-16-18(10-13)22-16)14-5-9-17-19(11-14)23-17/h12-19,21H,2-11H2,1H3.
What are the key properties of 4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol?
4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol has a molecular weight of 320.47 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 23158063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).