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

C23H42 — CID 123283372

IUPAC4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane
SMILESC=C(C)C(C(C)C)C1C2C(C)(C)C12CC(C)C(CCC)CCC
InChIInChI=1S/C23H42/c1-10-12-18(13-11-2)17(7)14-23-20(21(23)22(23,8)9)19(15(3)4)16(5)6/h16-21H,3,10-14H2,1-2,4-9H3
InChIKeyKRAAAYOOWQEFNH-UHFFFAOYSA-N
MW318.59 g/mol
LogP7.35
Rot. Bonds10

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

4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane (PubChem CID 123283372) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane
PubChem CID123283372
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane
SMILESC=C(C)C(C(C)C)C1C2C(C)(C)C12CC(C)C(CCC)CCC
InChIInChI=1S/C23H42/c1-10-12-18(13-11-2)17(7)14-23-20(21(23)22(23,8)9)19(15(3)4)16(5)6/h16-21H,3,10-14H2,1-2,4-9H3
InChIKeyKRAAAYOOWQEFNH-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)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 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane?
The IUPAC name of 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane (CID 123283372) is 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane?
The canonical SMILES for 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane is C=C(C)C(C(C)C)C1C2C(C)(C)C12CC(C)C(CCC)CCC.
What is the InChIKey of 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane?
The InChIKey is KRAAAYOOWQEFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42/c1-10-12-18(13-11-2)17(7)14-23-20(21(23)22(23,8)9)19(15(3)4)16(5)6/h16-21H,3,10-14H2,1-2,4-9H3.
What are the key properties of 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane?
4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane has a molecular weight of 318.59 g/mol, XLogP of 7.35, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpent-1-en-3-yl)-2,2-dimethyl-1-(2-methyl-3-propylhexyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123283372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).