2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane

C18H32 — CID 91125535

IUPAC2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane
SMILESC=C(CCCCCC)C1C2C(C)(C)C12CC(C)C
InChIInChI=1S/C18H32/c1-7-8-9-10-11-14(4)15-16-17(5,6)18(15,16)12-13(2)3/h13,15-16H,4,7-12H2,1-3,5-6H3
InChIKeyNXSAWGODLJVLSQ-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.83
Rot. Bonds8

About 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane

2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane (PubChem CID 91125535) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane
PubChem CID91125535
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane
SMILESC=C(CCCCCC)C1C2C(C)(C)C12CC(C)C
InChIInChI=1S/C18H32/c1-7-8-9-10-11-14(4)15-16-17(5,6)18(15,16)12-13(2)3/h13,15-16H,4,7-12H2,1-3,5-6H3
InChIKeyNXSAWGODLJVLSQ-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Pentene, 5-(2,2-dimethylcyclopropyl)-2-methyl-4-methylene-
CID 535149
1-Ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane
CID 138614421
1,2-Dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane
CID 138629058
1,1,2,2,5,5,6,6-Octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
CID 12706186
2,4-Dicyclopropylpentene
CID 129804298
Methylidenedispiro[2.5.2.7]octadecane
CID 129815762
Methylidenedispiro[2.6.2.6]octadecane
CID 129815917
trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane
CID 134865182
2,9-Dimethylidenehexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
CID 134900802
1-(2,6-Dimethylhept-1-en-3-yl)-1-methylcyclopropane
CID 134979201
1-Methyl-1-(2-methylhept-1-en-3-yl)cyclopropane
CID 134979287
[(1S,2R)-2-(2,6-dimethylhept-1-en-3-yl)-2-methylcyclopropyl]-bis(3-methylbutyl)borane
CID 135048195

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane (CID 91125535) is 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane is C=C(CCCCCC)C1C2C(C)(C)C12CC(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane?
The InChIKey is NXSAWGODLJVLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-7-8-9-10-11-14(4)15-16-17(5,6)18(15,16)12-13(2)3/h13,15-16H,4,7-12H2,1-3,5-6H3.
What are the key properties of 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane?
2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane has a molecular weight of 248.45 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 91125535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).