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

Name: 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₃₀O₃ — CID 23158054

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol

SMILESOC1CCC(C(C2CCC3OC3C2)C2CCC3OC3C2)CC1

InChIInChI=1S/C19H30O3/c20-14-5-1-11(2-6-14)19(12-3-7-15-17(9-12)21-15)13-4-8-16-18(10-13)22-16/h11-20H,1-10H2

InChIKeyKUWCXLAIZNZAQM-UHFFFAOYSA-N

MW306.45 g/mol

LogP3.29

Rot. Bonds3

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

4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol (PubChem CID 23158054) has the molecular formula C₁₉H₃₀O₃ and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name	4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol
PubChem CID	23158054
Molecular Formula	C₁₉H₃₀O₃
Molecular Weight	306.45 g/mol
Exact Mass	306.22
IUPAC Name	4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol
SMILES	OC1CCC(C(C2CCC3OC3C2)C2CCC3OC3C2)CC1
InChI	InChI=1S/C19H30O3/c20-14-5-1-11(2-6-14)19(12-3-7-15-17(9-12)21-15)13-4-8-16-18(10-13)22-16/h11-20H,1-10H2
InChIKey	KUWCXLAIZNZAQM-UHFFFAOYSA-N
XLogP	3.29
TPSA	45.29 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.45
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol?

The IUPAC name of 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol (CID 23158054) is 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol.

What is the SMILES notation for 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol?

The canonical SMILES for 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol is OC1CCC(C(C2CCC3OC3C2)C2CCC3OC3C2)CC1.

What is the InChIKey of 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol?

The InChIKey is KUWCXLAIZNZAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c20-14-5-1-11(2-6-14)19(12-3-7-15-17(9-12)21-15)13-4-8-16-18(10-13)22-16/h11-20H,1-10H2.

What are the key properties of 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol?

4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23158054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 23158054 — identifiers, structure, computed properties (public domain)

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