[(2E)-2-benzylidene-3-methylpentyl]-triethylsilane

C19H32Si — CID 102146594

IUPAC[(2E)-2-benzylidene-3-methylpentyl]-triethylsilane
SMILESCCC(C)/C(=C\c1ccccc1)C[Si](CC)(CC)CC
InChIInChI=1S/C19H32Si/c1-6-17(5)19(15-18-13-11-10-12-14-18)16-20(7-2,8-3)9-4/h10-15,17H,6-9,16H2,1-5H3/b19-15-
InChIKeyFVKXQUXZDDHJID-CYVLTUHYSA-N
MW288.55 g/mol
LogP6.62
Rot. Bonds8

About [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane

[(2E)-2-benzylidene-3-methylpentyl]-triethylsilane (PubChem CID 102146594) has the molecular formula C19H32Si and a molecular weight of 288.55 g/mol. Its IUPAC name is [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane.

Molecular Properties

Compound Name[(2E)-2-benzylidene-3-methylpentyl]-triethylsilane
PubChem CID102146594
Molecular FormulaC19H32Si
Molecular Weight288.55 g/mol
Exact Mass288.23
IUPAC Name[(2E)-2-benzylidene-3-methylpentyl]-triethylsilane
SMILESCCC(C)/C(=C\c1ccccc1)C[Si](CC)(CC)CC
InChIInChI=1S/C19H32Si/c1-6-17(5)19(15-18-13-11-10-12-14-18)16-20(7-2,8-3)9-4/h10-15,17H,6-9,16H2,1-5H3/b19-15-
InChIKeyFVKXQUXZDDHJID-CYVLTUHYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-benzylidene-3-methylpentan-1-amine
CID 154441203
(3E)-3-benzylidenepentan-2-ol
CID 135080947
(4-methyl-2-propan-2-ylhex-1-enyl)benzene
CID 90737119
[(E)-2,3,5-trimethylhept-1-enyl]benzene
CID 102271069
bromo 2-benzylidene-3-methylpentanoate
CID 174576332
(4E)-4-benzylidene-3-ethylhex-1-en-2-amine
CID 138711424
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
(3-benzylidene-4-phenylpentan-2-yl)benzene
CID 10781434
[(E)-4-methylhex-2-en-3-yl]benzene
CID 12531537
2-(2-methylbutanoyloxy)ethyl 2-benzylidene-3-oxobutanoate
CID 72515310
2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334
2-benzylidene-3-ethylbutanedioic acid
CID 54436000

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane?
The IUPAC name of [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane (CID 102146594) is [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane.
What is the SMILES notation for [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane?
The canonical SMILES for [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane is CCC(C)/C(=C\c1ccccc1)C[Si](CC)(CC)CC.
What is the InChIKey of [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane?
The InChIKey is FVKXQUXZDDHJID-CYVLTUHYSA-N. The full InChI is InChI=1S/C19H32Si/c1-6-17(5)19(15-18-13-11-10-12-14-18)16-20(7-2,8-3)9-4/h10-15,17H,6-9,16H2,1-5H3/b19-15-.
What are the key properties of [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane?
[(2E)-2-benzylidene-3-methylpentyl]-triethylsilane has a molecular weight of 288.55 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-benzylidene-3-methylpentyl]-triethylsilane is sourced from PubChem (CID 102146594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).