3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene

C11H18 — CID 14029516

IUPAC3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene
SMILESCC1=C(C)CC2C(C1)C2(C)C
InChIInChI=1S/C11H18/c1-7-5-9-10(6-8(7)2)11(9,3)4/h9-10H,5-6H2,1-4H3
InChIKeyVRGXZSITWYAVQT-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds

About 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene

3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene (PubChem CID 14029516) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene
PubChem CID14029516
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene
SMILESCC1=C(C)CC2C(C1)C2(C)C
InChIInChI=1S/C11H18/c1-7-5-9-10(6-8(7)2)11(9,3)4/h9-10H,5-6H2,1-4H3
InChIKeyVRGXZSITWYAVQT-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
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 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene?
The IUPAC name of 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene (CID 14029516) is 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene is CC1=C(C)CC2C(C1)C2(C)C.
What is the InChIKey of 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene?
The InChIKey is VRGXZSITWYAVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-7-5-9-10(6-8(7)2)11(9,3)4/h9-10H,5-6H2,1-4H3.
What are the key properties of 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene?
3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene has a molecular weight of 150.26 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 3,4,7,7-tetramethylbicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 14029516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).