2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene

C10H16 — CID 17868

IUPAC2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CCC2(C(C)C)CC12
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
InChIKeyKQAZVFVOEIRWHN-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds1

About 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene

2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene (PubChem CID 17868) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
PubChem CID17868
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CCC2(C(C)C)CC12
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
InChIKeyKQAZVFVOEIRWHN-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
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-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene (CID 17868) is 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene is CC1=CCC2(C(C)C)CC12.
What is the InChIKey of 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene?
The InChIKey is KQAZVFVOEIRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene?
2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene has a molecular weight of 136.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 17868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).