2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane

C20H36 — CID 91369955

IUPAC2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane
SMILESC=C(CC(C)(C)C)C1C2C(CC(CCC)C(C)CC)C12
InChIInChI=1S/C20H36/c1-8-10-15(13(3)9-2)11-16-18-17(19(16)18)14(4)12-20(5,6)7/h13,15-19H,4,8-12H2,1-3,5-7H3
InChIKeyZVWMCRGTUHCALZ-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.32
Rot. Bonds8

About 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane

2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane (PubChem CID 91369955) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane
PubChem CID91369955
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane
SMILESC=C(CC(C)(C)C)C1C2C(CC(CCC)C(C)CC)C12
InChIInChI=1S/C20H36/c1-8-10-15(13(3)9-2)11-16-18-17(19(16)18)14(4)12-20(5,6)7/h13,15-19H,4,8-12H2,1-3,5-7H3
InChIKeyZVWMCRGTUHCALZ-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane with MolForge

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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-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane?
The IUPAC name of 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane (CID 91369955) is 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane is C=C(CC(C)(C)C)C1C2C(CC(CCC)C(C)CC)C12.
What is the InChIKey of 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane?
The InChIKey is ZVWMCRGTUHCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-8-10-15(13(3)9-2)11-16-18-17(19(16)18)14(4)12-20(5,6)7/h13,15-19H,4,8-12H2,1-3,5-7H3.
What are the key properties of 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane?
2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane has a molecular weight of 276.51 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 91369955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).