1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol

C16H26O2 — CID 57082708

IUPAC1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol
SMILESC=CC1(C2(C(C)O)CCC3OC3C2)CCCCC1
InChIInChI=1S/C16H26O2/c1-3-15(8-5-4-6-9-15)16(12(2)17)10-7-13-14(11-16)18-13/h3,12-14,17H,1,4-11H2,2H3
InChIKeyLVVPVHUMIHFNCQ-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.44
Rot. Bonds3

About 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol

1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol (PubChem CID 57082708) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol.

Molecular Properties

Compound Name1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol
PubChem CID57082708
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol
SMILESC=CC1(C2(C(C)O)CCC3OC3C2)CCCCC1
InChIInChI=1S/C16H26O2/c1-3-15(8-5-4-6-9-15)16(12(2)17)10-7-13-14(11-16)18-13/h3,12-14,17H,1,4-11H2,2H3
InChIKeyLVVPVHUMIHFNCQ-UHFFFAOYSA-N
XLogP3.44
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol?
The IUPAC name of 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol (CID 57082708) is 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol.
What is the SMILES notation for 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol?
The canonical SMILES for 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol is C=CC1(C2(C(C)O)CCC3OC3C2)CCCCC1.
What is the InChIKey of 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol?
The InChIKey is LVVPVHUMIHFNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-15(8-5-4-6-9-15)16(12(2)17)10-7-13-14(11-16)18-13/h3,12-14,17H,1,4-11H2,2H3.
What are the key properties of 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol?
1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol has a molecular weight of 250.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethenylcyclohexyl)-7-oxabicyclo[4.1.0]heptan-3-yl]ethanol is sourced from PubChem (CID 57082708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).