4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene

C12H18 — CID 123554248

IUPAC4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene
SMILESCC1=C(C)C2CC3CCC2CC13
InChIInChI=1S/C12H18/c1-7-8(2)12-6-9-3-4-10(12)5-11(7)9/h9-12H,3-6H2,1-2H3
InChIKeyUOCZBLRLYFTVEF-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.39
Rot. Bonds

About 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene

4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene (PubChem CID 123554248) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene.

Molecular Properties

Compound Name4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene
PubChem CID123554248
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene
SMILESCC1=C(C)C2CC3CCC2CC13
InChIInChI=1S/C12H18/c1-7-8(2)12-6-9-3-4-10(12)5-11(7)9/h9-12H,3-6H2,1-2H3
InChIKeyUOCZBLRLYFTVEF-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene?
The IUPAC name of 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene (CID 123554248) is 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene.
What is the SMILES notation for 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene?
The canonical SMILES for 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene is CC1=C(C)C2CC3CCC2CC13.
What is the InChIKey of 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene?
The InChIKey is UOCZBLRLYFTVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-7-8(2)12-6-9-3-4-10(12)5-11(7)9/h9-12H,3-6H2,1-2H3.
What are the key properties of 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene?
4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene has a molecular weight of 162.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyltricyclo[4.4.0.03,8]dec-4-ene is sourced from PubChem (CID 123554248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).