[(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane

C16H26OSi — CID 150692014

IUPAC[(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane
SMILESC[SiH](C)OCC/C(=C\c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26OSi/c1-16(2,3)15(11-12-17-18(4)5)13-14-9-7-6-8-10-14/h6-10,13,18H,11-12H2,1-5H3/b15-13+
InChIKeyJKBQRJGXWIHLAD-FYWRMAATSA-N
MW262.47 g/mol
LogP4.51
Rot. Bonds5

About [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane

[(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane (PubChem CID 150692014) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane.

Molecular Properties

Compound Name[(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane
PubChem CID150692014
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Name[(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane
SMILESC[SiH](C)OCC/C(=C\c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26OSi/c1-16(2,3)15(11-12-17-18(4)5)13-14-9-7-6-8-10-14/h6-10,13,18H,11-12H2,1-5H3/b15-13+
InChIKeyJKBQRJGXWIHLAD-FYWRMAATSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-benzylidene-3-methylbutane-1,3-diol
CID 15011509
(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
CID 10376576
3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol
CID 115024743
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
(3E,5E)-3,5-dibenzylidene-2,2,6,6-tetramethylheptan-4-one
CID 139998466
N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
CID 10043080
3-(1-phenylprop-1-en-2-yloxy)propan-1-ol
CID 70184995
(3-fluoro-1-phenylprop-1-en-2-yl)-dimethylsilane
CID 154196689
1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene
CID 14906848
(E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol
CID 134945314
2-benzylidene-4-methoxybutanoic acid
CID 150039493
diethoxy-[(E)-2-methyl-3-phenylprop-2-enyl]silane
CID 173472570

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane?
The IUPAC name of [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane (CID 150692014) is [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane.
What is the SMILES notation for [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane?
The canonical SMILES for [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane is C[SiH](C)OCC/C(=C\c1ccccc1)C(C)(C)C.
What is the InChIKey of [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane?
The InChIKey is JKBQRJGXWIHLAD-FYWRMAATSA-N. The full InChI is InChI=1S/C16H26OSi/c1-16(2,3)15(11-12-17-18(4)5)13-14-9-7-6-8-10-14/h6-10,13,18H,11-12H2,1-5H3/b15-13+.
What are the key properties of [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane?
[(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane has a molecular weight of 262.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-benzylidene-4,4-dimethylpentoxy]-dimethylsilane is sourced from PubChem (CID 150692014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).