3-methylbicyclo[3.3.1]non-4-ene-1,3-diol

C10H16O2 — CID 123281164

IUPAC3-methylbicyclo[3.3.1]non-4-ene-1,3-diol
SMILESCC1(O)C=C2CCCC(O)(C2)C1
InChIInChI=1S/C10H16O2/c1-9(11)5-8-3-2-4-10(12,6-8)7-9/h5,11-12H,2-4,6-7H2,1H3
InChIKeyPWLWBZFLMMEUNX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds

About 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol

3-methylbicyclo[3.3.1]non-4-ene-1,3-diol (PubChem CID 123281164) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol.

Molecular Properties

Compound Name3-methylbicyclo[3.3.1]non-4-ene-1,3-diol
PubChem CID123281164
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methylbicyclo[3.3.1]non-4-ene-1,3-diol
SMILESCC1(O)C=C2CCCC(O)(C2)C1
InChIInChI=1S/C10H16O2/c1-9(11)5-8-3-2-4-10(12,6-8)7-9/h5,11-12H,2-4,6-7H2,1H3
InChIKeyPWLWBZFLMMEUNX-UHFFFAOYSA-N
XLogP1.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-(3-hydroxy-3-methyl-1-bicyclo[3.3.1]non-4-enyl)acetic acid
CID 154471118
bicyclo[5.2.1]dec-7-en-1-ol
CID 71323945
2-(3-methyl-3-nitroso-1-bicyclo[3.3.1]non-4-enyl)-2-oxoacetaldehyde
CID 163829448
3-hydroxy-3-methylcycloheptene-1-carbonitrile
CID 16742485
1-methyl-3-methylidenecyclohexan-1-ol
CID 23345654
5-(2,2-difluoro-2-sulfoethoxy)carbonyl-3-methylbicyclo[3.3.1]non-1-ene-3-carboxylic acid
CID 166689809
2-(7-hydroxy-7-methyl-3-azabicyclo[3.3.1]non-5-en-1-yl)-2-oxoacetic acid
CID 149475750
bicyclo[3.3.3]undecane-1,5-diol
CID 5251734
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene
CID 10751327
(3,3-dimethylcyclohexen-1-yl)methanol
CID 11116156
4-(difluoromethylidene)-6-propan-2-ylbicyclo[4.3.1]dec-1(10)-ene
CID 164875914

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol?
The IUPAC name of 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol (CID 123281164) is 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol.
What is the SMILES notation for 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol?
The canonical SMILES for 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol is CC1(O)C=C2CCCC(O)(C2)C1.
What is the InChIKey of 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol?
The InChIKey is PWLWBZFLMMEUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(11)5-8-3-2-4-10(12,6-8)7-9/h5,11-12H,2-4,6-7H2,1H3.
What are the key properties of 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol?
3-methylbicyclo[3.3.1]non-4-ene-1,3-diol has a molecular weight of 168.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[3.3.1]non-4-ene-1,3-diol is sourced from PubChem (CID 123281164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).