4-methylbicyclo[4.2.0]oct-1-ene

C9H14 — CID 145440699

IUPAC4-methylbicyclo[4.2.0]oct-1-ene
SMILESCC1CC=C2CCC2C1
InChIInChI=1S/C9H14/c1-7-2-3-8-4-5-9(8)6-7/h3,7,9H,2,4-6H2,1H3
InChIKeyYYNRMWSZNSKVBW-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 4-methylbicyclo[4.2.0]oct-1-ene

4-methylbicyclo[4.2.0]oct-1-ene (PubChem CID 145440699) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 4-methylbicyclo[4.2.0]oct-1-ene.

Molecular Properties

Compound Name4-methylbicyclo[4.2.0]oct-1-ene
PubChem CID145440699
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name4-methylbicyclo[4.2.0]oct-1-ene
SMILESCC1CC=C2CCC2C1
InChIInChI=1S/C9H14/c1-7-2-3-8-4-5-9(8)6-7/h3,7,9H,2,4-6H2,1H3
InChIKeyYYNRMWSZNSKVBW-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
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

1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene
CID 177321446
(5R)-bicyclo[3.2.0]hept-1-ene
CID 15939344
2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
CID 145030144
CID 59055911
CID 59055911
bicyclo[3.2.0]hept-1(7)-ene
CID 86002949
1-cyclobutyl-5-ethyl-4-methylcycloheptene
CID 123242728
1,4-dimethyl(113C)cyclohexene
CID 11018826
4-(4-methylcyclohexyl)cyclohex-3-en-1-one
CID 83261742
2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol
CID 138718400
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461
1-(2,3,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulen-2-yl)ethanone
CID 20659560
1-fluoro-4-methylcyclohexene
CID 23443585

Frequently Asked Questions

What is the IUPAC name of 4-methylbicyclo[4.2.0]oct-1-ene?
The IUPAC name of 4-methylbicyclo[4.2.0]oct-1-ene (CID 145440699) is 4-methylbicyclo[4.2.0]oct-1-ene.
What is the SMILES notation for 4-methylbicyclo[4.2.0]oct-1-ene?
The canonical SMILES for 4-methylbicyclo[4.2.0]oct-1-ene is CC1CC=C2CCC2C1.
What is the InChIKey of 4-methylbicyclo[4.2.0]oct-1-ene?
The InChIKey is YYNRMWSZNSKVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-7-2-3-8-4-5-9(8)6-7/h3,7,9H,2,4-6H2,1H3.
What are the key properties of 4-methylbicyclo[4.2.0]oct-1-ene?
4-methylbicyclo[4.2.0]oct-1-ene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbicyclo[4.2.0]oct-1-ene is sourced from PubChem (CID 145440699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).