2-propan-2-ylbicyclo[4.1.0]hept-1-ene

C10H16 — CID 57322916

IUPAC2-propan-2-ylbicyclo[4.1.0]hept-1-ene
SMILESCC(C)C1=C2CC2CCC1
InChIInChI=1S/C10H16/c1-7(2)9-5-3-4-8-6-10(8)9/h7-8H,3-6H2,1-2H3
InChIKeySXVUMCSMJVIPAY-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds1

About 2-propan-2-ylbicyclo[4.1.0]hept-1-ene

2-propan-2-ylbicyclo[4.1.0]hept-1-ene (PubChem CID 57322916) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-propan-2-ylbicyclo[4.1.0]hept-1-ene.

Molecular Properties

Compound Name2-propan-2-ylbicyclo[4.1.0]hept-1-ene
PubChem CID57322916
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-propan-2-ylbicyclo[4.1.0]hept-1-ene
SMILESCC(C)C1=C2CC2CCC1
InChIInChI=1S/C10H16/c1-7(2)9-5-3-4-8-6-10(8)9/h7-8H,3-6H2,1-2H3
InChIKeySXVUMCSMJVIPAY-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(1-Methylethylidene)bicyclo(4.1.0)heptane
CID 40707
1-Menthene
CID 25445
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
4-Methyl-3-carene
CID 14029516
1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene
CID 595941
Tetramethyloctene
CID 18915868
1,2,4-Trimethylcyclohex-1-ene
CID 21676549
1,2,3,4,5,6-Hexamethylcyclohexene
CID 22892780
3-Methyl-2-norcarene
CID 23269081
Trimethylcycloheptene
CID 59796493
2,4-Dimethyl-1-propan-2-ylcyclohexene
CID 86080885
Dimethylethyl cyclohexene
CID 129726891

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylbicyclo[4.1.0]hept-1-ene?
The IUPAC name of 2-propan-2-ylbicyclo[4.1.0]hept-1-ene (CID 57322916) is 2-propan-2-ylbicyclo[4.1.0]hept-1-ene.
What is the SMILES notation for 2-propan-2-ylbicyclo[4.1.0]hept-1-ene?
The canonical SMILES for 2-propan-2-ylbicyclo[4.1.0]hept-1-ene is CC(C)C1=C2CC2CCC1.
What is the InChIKey of 2-propan-2-ylbicyclo[4.1.0]hept-1-ene?
The InChIKey is SXVUMCSMJVIPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7(2)9-5-3-4-8-6-10(8)9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-ylbicyclo[4.1.0]hept-1-ene?
2-propan-2-ylbicyclo[4.1.0]hept-1-ene has a molecular weight of 136.24 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbicyclo[4.1.0]hept-1-ene is sourced from PubChem (CID 57322916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).