2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol

C10H14O3 — CID 88515669

IUPAC2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol
SMILESOCCC1=CC2OC2(CCO)C=C1
InChIInChI=1S/C10H14O3/c11-5-2-8-1-3-10(4-6-12)9(7-8)13-10/h1,3,7,9,11-12H,2,4-6H2
InChIKeyORSZYTYXCNKPII-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.38
Rot. Bonds4

About 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol

2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol (PubChem CID 88515669) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol
PubChem CID88515669
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol
SMILESOCCC1=CC2OC2(CCO)C=C1
InChIInChI=1S/C10H14O3/c11-5-2-8-1-3-10(4-6-12)9(7-8)13-10/h1,3,7,9,11-12H,2,4-6H2
InChIKeyORSZYTYXCNKPII-UHFFFAOYSA-N
XLogP0.38
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
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 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol?
The IUPAC name of 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol (CID 88515669) is 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol.
What is the SMILES notation for 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol?
The canonical SMILES for 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol is OCCC1=CC2OC2(CCO)C=C1.
What is the InChIKey of 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol?
The InChIKey is ORSZYTYXCNKPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-5-2-8-1-3-10(4-6-12)9(7-8)13-10/h1,3,7,9,11-12H,2,4-6H2.
What are the key properties of 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol?
2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol has a molecular weight of 182.22 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl]ethanol is sourced from PubChem (CID 88515669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).