3-methyltricyclo[3.3.0.01,4]octane

C9H14 — CID 123792229

IUPAC3-methyltricyclo[3.3.0.01,4]octane
SMILESCC1CC23CCCC2C13
InChIInChI=1S/C9H14/c1-6-5-9-4-2-3-7(9)8(6)9/h6-8H,2-5H2,1H3
InChIKeyZLIVITIUDFPCIJ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds

About 3-methyltricyclo[3.3.0.01,4]octane

3-methyltricyclo[3.3.0.01,4]octane (PubChem CID 123792229) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-methyltricyclo[3.3.0.01,4]octane.

Molecular Properties

Compound Name3-methyltricyclo[3.3.0.01,4]octane
PubChem CID123792229
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-methyltricyclo[3.3.0.01,4]octane
SMILESCC1CC23CCCC2C13
InChIInChI=1S/C9H14/c1-6-5-9-4-2-3-7(9)8(6)9/h6-8H,2-5H2,1H3
InChIKeyZLIVITIUDFPCIJ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-methyltricyclo[3.3.0.01,4]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

(5S,6S)-tricyclo[4.3.0.01,5]nonane
CID 144518883
(5R)-tricyclo[3.2.0.01,6]heptane
CID 163731431
(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane
CID 102285377
2-methylspiro[2.4]heptan-7-amine
CID 146817135
trans-(1R,2R)-1-(1-methoxycyclopropyl)-2-methylcyclohexane
CID 12564478
(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
CID 163918664
1,6-dimethylbicyclo[3.1.0]hexane;methane
CID 173302897
1,2-dimethylspiro[2.4]heptane
CID 58548907
(9S,10R)-9-methylspiro[4.5]decan-10-amine
CID 42611664
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
(1S,2R,6S)-7,7-dibromo-2-methylbicyclo[4.1.0]heptane
CID 124921029
azane;1,6-dimethylbicyclo[3.1.0]hexane;hydrochloride
CID 174569895

Frequently Asked Questions

What is the IUPAC name of 3-methyltricyclo[3.3.0.01,4]octane?
The IUPAC name of 3-methyltricyclo[3.3.0.01,4]octane (CID 123792229) is 3-methyltricyclo[3.3.0.01,4]octane.
What is the SMILES notation for 3-methyltricyclo[3.3.0.01,4]octane?
The canonical SMILES for 3-methyltricyclo[3.3.0.01,4]octane is CC1CC23CCCC2C13.
What is the InChIKey of 3-methyltricyclo[3.3.0.01,4]octane?
The InChIKey is ZLIVITIUDFPCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-5-9-4-2-3-7(9)8(6)9/h6-8H,2-5H2,1H3.
What are the key properties of 3-methyltricyclo[3.3.0.01,4]octane?
3-methyltricyclo[3.3.0.01,4]octane has a molecular weight of 122.21 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltricyclo[3.3.0.01,4]octane is sourced from PubChem (CID 123792229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).