3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol

C7H10O3 — CID 11686920

IUPAC3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
SMILESCC1=CC(O)C2OC2C1O
InChIInChI=1S/C7H10O3/c1-3-2-4(8)6-7(10-6)5(3)9/h2,4-9H,1H3
InChIKeyOICXPDKRWDNGQZ-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.56
Rot. Bonds

About 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol

3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol (PubChem CID 11686920) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol.

Molecular Properties

Compound Name3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
PubChem CID11686920
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
SMILESCC1=CC(O)C2OC2C1O
InChIInChI=1S/C7H10O3/c1-3-2-4(8)6-7(10-6)5(3)9/h2,4-9H,1H3
InChIKeyOICXPDKRWDNGQZ-UHFFFAOYSA-N
XLogP-0.56
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol?
The IUPAC name of 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol (CID 11686920) is 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol.
What is the SMILES notation for 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol?
The canonical SMILES for 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol is CC1=CC(O)C2OC2C1O.
What is the InChIKey of 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol?
The InChIKey is OICXPDKRWDNGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-2-4(8)6-7(10-6)5(3)9/h2,4-9H,1H3.
What are the key properties of 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol?
3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol has a molecular weight of 142.15 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol is sourced from PubChem (CID 11686920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).