4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene

C10H16 — CID 520384

IUPAC4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene
SMILESCC1C=CC2(C(C)C)CC12
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3
InChIKeyGJYKUZUTZNTBEC-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.85
Rot. Bonds1

About 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene

4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene (PubChem CID 520384) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene
PubChem CID520384
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene
SMILESCC1C=CC2(C(C)C)CC12
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3
InChIKeyGJYKUZUTZNTBEC-UHFFFAOYSA-N
XLogP2.85
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 ≤ 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 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene (CID 520384) is 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene is CC1C=CC2(C(C)C)CC12.
What is the InChIKey of 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene?
The InChIKey is GJYKUZUTZNTBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene?
4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene has a molecular weight of 136.24 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 520384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).