6-methyltricyclo[3.3.0.02,8]oct-4-ene

C9H12 — CID 163855748

IUPAC6-methyltricyclo[3.3.0.02,8]oct-4-ene
SMILESCC1CC2C3CC=C1C32
InChIInChI=1S/C9H12/c1-5-4-8-7-3-2-6(5)9(7)8/h2,5,7-9H,3-4H2,1H3
InChIKeyOYDLJIRTRBOTLJ-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.22
Rot. Bonds

About 6-methyltricyclo[3.3.0.02,8]oct-4-ene

6-methyltricyclo[3.3.0.02,8]oct-4-ene (PubChem CID 163855748) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 6-methyltricyclo[3.3.0.02,8]oct-4-ene.

Molecular Properties

Compound Name6-methyltricyclo[3.3.0.02,8]oct-4-ene
PubChem CID163855748
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name6-methyltricyclo[3.3.0.02,8]oct-4-ene
SMILESCC1CC2C3CC=C1C32
InChIInChI=1S/C9H12/c1-5-4-8-7-3-2-6(5)9(7)8/h2,5,7-9H,3-4H2,1H3
InChIKeyOYDLJIRTRBOTLJ-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 163060708
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(1R,3R,4S,8R,9S)-3,7-dimethyl-10-propan-2-ylidene-11-oxatricyclo[6.2.1.04,9]undec-6-ene
CID 102095303
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
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4-chloro-1,6-dimethylcyclohexene
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1-fluoro-4-methylcyclohexene
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Frequently Asked Questions

What is the IUPAC name of 6-methyltricyclo[3.3.0.02,8]oct-4-ene?
The IUPAC name of 6-methyltricyclo[3.3.0.02,8]oct-4-ene (CID 163855748) is 6-methyltricyclo[3.3.0.02,8]oct-4-ene.
What is the SMILES notation for 6-methyltricyclo[3.3.0.02,8]oct-4-ene?
The canonical SMILES for 6-methyltricyclo[3.3.0.02,8]oct-4-ene is CC1CC2C3CC=C1C32.
What is the InChIKey of 6-methyltricyclo[3.3.0.02,8]oct-4-ene?
The InChIKey is OYDLJIRTRBOTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-5-4-8-7-3-2-6(5)9(7)8/h2,5,7-9H,3-4H2,1H3.
What are the key properties of 6-methyltricyclo[3.3.0.02,8]oct-4-ene?
6-methyltricyclo[3.3.0.02,8]oct-4-ene has a molecular weight of 120.19 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyltricyclo[3.3.0.02,8]oct-4-ene is sourced from PubChem (CID 163855748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).