2,3,5-trimethylbicyclo[4.1.0]hept-3-ene

C10H16 — CID 18728500

IUPAC2,3,5-trimethylbicyclo[4.1.0]hept-3-ene
SMILESCC1=CC(C)C2CC2C1C
InChIInChI=1S/C10H16/c1-6-4-7(2)9-5-10(9)8(6)3/h4,7-10H,5H2,1-3H3
InChIKeyURGJNAAKRLVFOP-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.85
Rot. Bonds

About 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene

2,3,5-trimethylbicyclo[4.1.0]hept-3-ene (PubChem CID 18728500) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name2,3,5-trimethylbicyclo[4.1.0]hept-3-ene
PubChem CID18728500
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,3,5-trimethylbicyclo[4.1.0]hept-3-ene
SMILESCC1=CC(C)C2CC2C1C
InChIInChI=1S/C10H16/c1-6-4-7(2)9-5-10(9)8(6)3/h4,7-10H,5H2,1-3H3
InChIKeyURGJNAAKRLVFOP-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.85
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 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene?
The IUPAC name of 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene (CID 18728500) is 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene is CC1=CC(C)C2CC2C1C.
What is the InChIKey of 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene?
The InChIKey is URGJNAAKRLVFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-6-4-7(2)9-5-10(9)8(6)3/h4,7-10H,5H2,1-3H3.
What are the key properties of 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene?
2,3,5-trimethylbicyclo[4.1.0]hept-3-ene has a molecular weight of 136.24 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylbicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 18728500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).