1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane

C19H34 — CID 90871748

IUPAC1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane
SMILESC=CC(C)(CC)C(C)C1C2(C)C(C)(C(C)C)C12CC
InChIInChI=1S/C19H34/c1-10-16(7,11-2)14(6)15-18(9)17(8,13(4)5)19(15,18)12-3/h10,13-15H,1,11-12H2,2-9H3
InChIKeyLEUQPPXCXKQIHO-UHFFFAOYSA-N
MW262.48 g/mol
LogP5.93
Rot. Bonds6

About 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane

1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane (PubChem CID 90871748) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane
PubChem CID90871748
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane
SMILESC=CC(C)(CC)C(C)C1C2(C)C(C)(C(C)C)C12CC
InChIInChI=1S/C19H34/c1-10-16(7,11-2)14(6)15-18(9)17(8,13(4)5)19(15,18)12-3/h10,13-15H,1,11-12H2,2-9H3
InChIKeyLEUQPPXCXKQIHO-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane with MolForge

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Related Compounds

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
7-Ethenyldispiro[2.0.24.23]octane
CID 14027197
2-Butyl-1-ethenyl-1-methylcyclopropane
CID 91273942
Bis[3-(1,1-dimethyl-2-propenyl)-2,2-dimethylcyclopropyl]zinc
CID 565682
2-Ethenyl-1,2-dimethylbicyclo[1.1.0]butane
CID 13551557
1,3-Bis[(2-ethenylcyclopropyl)methyl]cyclobutane
CID 59422098
3,7,11,15-Tetramethyl-3-propan-2-ylhexadec-1-ene
CID 59961467
5-Ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane
CID 90692248
4-Ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane
CID 90739297
4-[3,4-Dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane
CID 90758965
1-But-3-enyl-3-butyl-1-(8-butyl-6-ethyl-13,14-dimethyl-7-propylpentadecyl)cyclobutane
CID 90786500
6-Ethenyl-3-ethyl-6-methyl-4-propylnonane
CID 90811879

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane (CID 90871748) is 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane is C=CC(C)(CC)C(C)C1C2(C)C(C)(C(C)C)C12CC.
What is the InChIKey of 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane?
The InChIKey is LEUQPPXCXKQIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-10-16(7,11-2)14(6)15-18(9)17(8,13(4)5)19(15,18)12-3/h10,13-15H,1,11-12H2,2-9H3.
What are the key properties of 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane?
1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane has a molecular weight of 262.48 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 90871748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).