4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene

C9H14 — CID 123187415

IUPAC4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene
SMILESCC(C)CC1=C2C(C)C12
InChIInChI=1S/C9H14/c1-5(2)4-7-8-6(3)9(7)8/h5-6,8H,4H2,1-3H3
InChIKeyDCZPVQPWJJDVOV-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds2

About 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene

4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene (PubChem CID 123187415) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene
PubChem CID123187415
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene
SMILESCC(C)CC1=C2C(C)C12
InChIInChI=1S/C9H14/c1-5(2)4-7-8-6(3)9(7)8/h5-6,8H,4H2,1-3H3
InChIKeyDCZPVQPWJJDVOV-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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

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CID 18915868
Tetramethylundecene
CID 156827842
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CID 32479
3,4-Dimethylbicyclo[4.1.0]hept-3-ene
CID 12651895
1,2-Dicyclopropylcyclopropene
CID 129652612
1-Butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
CID 12567931
1-Hexyl-2,3-dimethylcyclopropene
CID 13509990
2,3,4-Trimethylundec-2-ene
CID 19373795
2,3,4-Trimethyldec-2-ene
CID 19373804
1-Cyclopropylidene-2-nonylcyclobutane
CID 20069587
3-Methyl-2-propan-2-ylbicyclo[3.1.0]hex-2-ene
CID 20259158
1,2,3-Tributylcyclobutene
CID 20470190

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene?
The IUPAC name of 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene (CID 123187415) is 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene is CC(C)CC1=C2C(C)C12.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene?
The InChIKey is DCZPVQPWJJDVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-5(2)4-7-8-6(3)9(7)8/h5-6,8H,4H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene?
4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene has a molecular weight of 122.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)bicyclo[1.1.0]but-1-ene is sourced from PubChem (CID 123187415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).