7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol

C9H14O — CID 14017411

IUPAC7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol
SMILESCC1(C)C(O)C2CC=CC21
InChIInChI=1S/C9H14O/c1-9(2)7-5-3-4-6(7)8(9)10/h3,5-8,10H,4H2,1-2H3
InChIKeyWVKVXQSNYVPRSV-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds

About 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol

7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol (PubChem CID 14017411) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol.

Molecular Properties

Compound Name7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol
PubChem CID14017411
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol
SMILESCC1(C)C(O)C2CC=CC21
InChIInChI=1S/C9H14O/c1-9(2)7-5-3-4-6(7)8(9)10/h3,5-8,10H,4H2,1-2H3
InChIKeyWVKVXQSNYVPRSV-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Bicyclo[3.2.0]hept-2-en-6-ol
CID 10866282
1-(2,2,3-Trimethylcyclopent-3-en-1-yl)propan-2-ol
CID 15219079
Endo-bicyclo(3,2,0)hept-2-en-6-ol
CID 11116010
(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 12648742
(1R,5S,6R)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 15143873
2,6,6-Trimethylcyclohept-3-enol
CID 85790618
1-(2-Bicyclo[3.2.0]hept-3-enyl)ethanol
CID 90917161
2-Propenyl-1-methyl-cyclobutaneethanol
CID 129866297
[(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]methanol
CID 134980198
1-[(1R,5S,6R)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol
CID 134980292
(1R,5S,6S)-2,2,5-trimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 134980382
1-[(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanol
CID 134993337

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol?
The IUPAC name of 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol (CID 14017411) is 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol.
What is the SMILES notation for 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol?
The canonical SMILES for 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol is CC1(C)C(O)C2CC=CC21.
What is the InChIKey of 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol?
The InChIKey is WVKVXQSNYVPRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(2)7-5-3-4-6(7)8(9)10/h3,5-8,10H,4H2,1-2H3.
What are the key properties of 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol?
7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylbicyclo[3.2.0]hept-2-en-6-ol is sourced from PubChem (CID 14017411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).