2,5,5-trimethylbicyclo[4.1.0]hept-1-ene

C10H16 — CID 22251432

IUPAC2,5,5-trimethylbicyclo[4.1.0]hept-1-ene
SMILESCC1=C2CC2C(C)(C)CC1
InChIInChI=1S/C10H16/c1-7-4-5-10(2,3)9-6-8(7)9/h9H,4-6H2,1-3H3
InChIKeyNHTHCZHODZEABD-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene

2,5,5-trimethylbicyclo[4.1.0]hept-1-ene (PubChem CID 22251432) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene.

Molecular Properties

Compound Name2,5,5-trimethylbicyclo[4.1.0]hept-1-ene
PubChem CID22251432
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,5,5-trimethylbicyclo[4.1.0]hept-1-ene
SMILESCC1=C2CC2C(C)(C)CC1
InChIInChI=1S/C10H16/c1-7-4-5-10(2,3)9-6-8(7)9/h9H,4-6H2,1-3H3
InChIKeyNHTHCZHODZEABD-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene?
The IUPAC name of 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene (CID 22251432) is 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene.
What is the SMILES notation for 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene?
The canonical SMILES for 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene is CC1=C2CC2C(C)(C)CC1.
What is the InChIKey of 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene?
The InChIKey is NHTHCZHODZEABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-4-5-10(2,3)9-6-8(7)9/h9H,4-6H2,1-3H3.
What are the key properties of 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene?
2,5,5-trimethylbicyclo[4.1.0]hept-1-ene has a molecular weight of 136.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylbicyclo[4.1.0]hept-1-ene is sourced from PubChem (CID 22251432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).