2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol

C8H14O2 — CID 12835191

IUPAC2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol
SMILESOCCC12CCCCC1O2
InChIInChI=1S/C8H14O2/c9-6-5-8-4-2-1-3-7(8)10-8/h7,9H,1-6H2
InChIKeyOQJUHKMAUZHXLV-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.08
Rot. Bonds2

About 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol

2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol (PubChem CID 12835191) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol.

Molecular Properties

Compound Name2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol
PubChem CID12835191
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol
SMILESOCCC12CCCCC1O2
InChIInChI=1S/C8H14O2/c9-6-5-8-4-2-1-3-7(8)10-8/h7,9H,1-6H2
InChIKeyOQJUHKMAUZHXLV-UHFFFAOYSA-N
XLogP1.08
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.08
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 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol?
The IUPAC name of 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol (CID 12835191) is 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol.
What is the SMILES notation for 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol?
The canonical SMILES for 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol is OCCC12CCCCC1O2.
What is the InChIKey of 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol?
The InChIKey is OQJUHKMAUZHXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-5-8-4-2-1-3-7(8)10-8/h7,9H,1-6H2.
What are the key properties of 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol?
2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol has a molecular weight of 142.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanol is sourced from PubChem (CID 12835191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).