7-methyltricyclo[3.3.0.02,4]octane

C9H14 — CID 154523020

IUPAC7-methyltricyclo[3.3.0.02,4]octane
SMILESCC1CC2C(C1)C1CC21
InChIInChI=1S/C9H14/c1-5-2-6-7(3-5)9-4-8(6)9/h5-9H,2-4H2,1H3
InChIKeyBVDJSXVJBYTGLW-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.30
Rot. Bonds

About 7-methyltricyclo[3.3.0.02,4]octane

7-methyltricyclo[3.3.0.02,4]octane (PubChem CID 154523020) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 7-methyltricyclo[3.3.0.02,4]octane.

Molecular Properties

Compound Name7-methyltricyclo[3.3.0.02,4]octane
PubChem CID154523020
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name7-methyltricyclo[3.3.0.02,4]octane
SMILESCC1CC2C(C1)C1CC21
InChIInChI=1S/C9H14/c1-5-2-6-7(3-5)9-4-8(6)9/h5-9H,2-4H2,1H3
InChIKeyBVDJSXVJBYTGLW-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-methyltricyclo[3.3.0.02,4]octane 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

8-methoxy-4,9-dimethyltricyclo[5.2.1.02,6]decane
CID 71411324
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane;4,11-dimethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane;4,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 159041892
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 58944334
7,12,14-trimethyltetracyclo[8.5.0.02,8.04,6]pentadecane
CID 123453838
7-ethyl-5-[7-ethyl-5-[7-ethyl-2-(7-ethyl-2-methyl-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalen-5-yl)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalen-5-yl]-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalen-2-yl]-2-methyl-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene
CID 164793601
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
(1S,5R)-3-methylbicyclo[3.1.0]hexane-6-carbaldehyde
CID 162077883
2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane
CID 152828720
1,3-bis(ethenyl)-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162270602
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064
formonitrile;1,3,5-trimethylcyclohexane
CID 174384733

Frequently Asked Questions

What is the IUPAC name of 7-methyltricyclo[3.3.0.02,4]octane?
The IUPAC name of 7-methyltricyclo[3.3.0.02,4]octane (CID 154523020) is 7-methyltricyclo[3.3.0.02,4]octane.
What is the SMILES notation for 7-methyltricyclo[3.3.0.02,4]octane?
The canonical SMILES for 7-methyltricyclo[3.3.0.02,4]octane is CC1CC2C(C1)C1CC21.
What is the InChIKey of 7-methyltricyclo[3.3.0.02,4]octane?
The InChIKey is BVDJSXVJBYTGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-5-2-6-7(3-5)9-4-8(6)9/h5-9H,2-4H2,1H3.
What are the key properties of 7-methyltricyclo[3.3.0.02,4]octane?
7-methyltricyclo[3.3.0.02,4]octane has a molecular weight of 122.21 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyltricyclo[3.3.0.02,4]octane is sourced from PubChem (CID 154523020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).