2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol

C9H12O2 — CID 141151202

IUPAC2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
SMILESCC12C=CC=CC1(CCO)O2
InChIInChI=1S/C9H12O2/c1-8-4-2-3-5-9(8,11-8)6-7-10/h2-5,10H,6-7H2,1H3
InChIKeyRLKSRDPVYPOMQN-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.02
Rot. Bonds2

About 2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol

2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol (PubChem CID 141151202) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
PubChem CID141151202
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
SMILESCC12C=CC=CC1(CCO)O2
InChIInChI=1S/C9H12O2/c1-8-4-2-3-5-9(8,11-8)6-7-10/h2-5,10H,6-7H2,1H3
InChIKeyRLKSRDPVYPOMQN-UHFFFAOYSA-N
XLogP1.02
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.02
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-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol (CID 141151202) is 2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol is CC12C=CC=CC1(CCO)O2.
What is the InChIKey of 2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
The InChIKey is RLKSRDPVYPOMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-8-4-2-3-5-9(8,11-8)6-7-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol has a molecular weight of 152.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 141151202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).