6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol

C7H8O2 — CID 155666685

IUPAC6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol
SMILESCC12C=CC(O)=CC1O2
InChIInChI=1S/C7H8O2/c1-7-3-2-5(8)4-6(7)9-7/h2-4,6,8H,1H3
InChIKeyWFVZVVZAGIFLBQ-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.16
Rot. Bonds

About 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol

6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol (PubChem CID 155666685) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol.

Molecular Properties

Compound Name6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol
PubChem CID155666685
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol
SMILESCC12C=CC(O)=CC1O2
InChIInChI=1S/C7H8O2/c1-7-3-2-5(8)4-6(7)9-7/h2-4,6,8H,1H3
InChIKeyWFVZVVZAGIFLBQ-UHFFFAOYSA-N
XLogP1.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.16
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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Related Compounds

7-bromo-9b-methyl-4aH-dibenzofuran-3-ol
CID 167023268
3,6-dihydroxy-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 66586624
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
(4,6-dihydroxy-1-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 163675524
3-ethyl-3-methylcyclopenta-1,4-dien-1-ol
CID 163478961
4,5-dimethoxy-1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 156700477
1,4-dihydroxycyclohexa-3,5-diene-1,2-disulfonic acid;methanamine
CID 158590864
4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol
CID 154338193
1,1,1',1'-tetramethyl-3,3'-spirobi[3a,7a-dihydro-2H-indene]-5,5'-diol
CID 133081875
1-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
CID 70171741
4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 26067
2,2,8,8-tetramethylpyrano[3,2-g]chromen-5-ol
CID 86035847

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol?
The IUPAC name of 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol (CID 155666685) is 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol.
What is the SMILES notation for 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol?
The canonical SMILES for 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol is CC12C=CC(O)=CC1O2.
What is the InChIKey of 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol?
The InChIKey is WFVZVVZAGIFLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-7-3-2-5(8)4-6(7)9-7/h2-4,6,8H,1H3.
What are the key properties of 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol?
6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol has a molecular weight of 124.14 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-3-ol is sourced from PubChem (CID 155666685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).