[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane

C17H34Si — CID 101455170

IUPAC[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane
SMILESCCC/C=C(CCC)/C(=C/[Si](C)(C)C)CCCC
InChIInChI=1S/C17H34Si/c1-7-10-13-16(12-9-3)17(14-11-8-2)15-18(4,5)6/h13,15H,7-12,14H2,1-6H3/b16-13+,17-15+
InChIKeyBDHUJJDGIDVEFX-NLEMEUKFSA-N
MW266.54 g/mol
LogP6.51
Rot. Bonds9

About [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane

[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane (PubChem CID 101455170) has the molecular formula C17H34Si and a molecular weight of 266.54 g/mol. Its IUPAC name is [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane
PubChem CID101455170
Molecular FormulaC17H34Si
Molecular Weight266.54 g/mol
Exact Mass266.24
IUPAC Name[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane
SMILESCCC/C=C(CCC)/C(=C/[Si](C)(C)C)CCCC
InChIInChI=1S/C17H34Si/c1-7-10-13-16(12-9-3)17(14-11-8-2)15-18(4,5)6/h13,15H,7-12,14H2,1-6H3/b16-13+,17-15+
InChIKeyBDHUJJDGIDVEFX-NLEMEUKFSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.54
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E,3E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 14364581
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane
CID 53401400
3-propylhept-3-en-2-one
CID 537652
(E)-N-dodecyl-2-propylhex-2-enamide
CID 102089072
(Z,4Z)-4-ethylidene-3-propyloct-2-en-1-amine
CID 166865540
dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane
CID 71442006
2-propylhex-2-eneperoxoic acid
CID 175435177
N,N-dimethyl-2-propylhex-2-enamide
CID 175550014
lithium (Z)-non-4-en-5-olate
CID 23684731
(E)-5-butyltridec-4-ene
CID 12531554
5-butylicos-4-ene
CID 54084142

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane (CID 101455170) is [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane is CCC/C=C(CCC)/C(=C/[Si](C)(C)C)CCCC.
What is the InChIKey of [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane?
The InChIKey is BDHUJJDGIDVEFX-NLEMEUKFSA-N. The full InChI is InChI=1S/C17H34Si/c1-7-10-13-16(12-9-3)17(14-11-8-2)15-18(4,5)6/h13,15H,7-12,14H2,1-6H3/b16-13+,17-15+.
What are the key properties of [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane?
[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane has a molecular weight of 266.54 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 101455170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).