4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol

C18H32O2 — CID 23158005

IUPAC4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol
SMILESOC1CCC(CCCCCCC2CCC3OC3C2)CC1
InChIInChI=1S/C18H32O2/c19-16-10-7-14(8-11-16)5-3-1-2-4-6-15-9-12-17-18(13-15)20-17/h14-19H,1-13H2
InChIKeyNYMLIRCOQJLJLM-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.45
Rot. Bonds7

About 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol

4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol (PubChem CID 23158005) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol
PubChem CID23158005
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol
SMILESOC1CCC(CCCCCCC2CCC3OC3C2)CC1
InChIInChI=1S/C18H32O2/c19-16-10-7-14(8-11-16)5-3-1-2-4-6-15-9-12-17-18(13-15)20-17/h14-19H,1-13H2
InChIKeyNYMLIRCOQJLJLM-UHFFFAOYSA-N
XLogP4.45
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol?
The IUPAC name of 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol (CID 23158005) is 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol?
The canonical SMILES for 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol is OC1CCC(CCCCCCC2CCC3OC3C2)CC1.
What is the InChIKey of 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol?
The InChIKey is NYMLIRCOQJLJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c19-16-10-7-14(8-11-16)5-3-1-2-4-6-15-9-12-17-18(13-15)20-17/h14-19H,1-13H2.
What are the key properties of 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol?
4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol has a molecular weight of 280.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol is sourced from PubChem (CID 23158005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).