trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane

C19H22OSi — CID 85401954

IUPACtrimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane
SMILESC=C(C=Cc1ccc(-c2ccccc2)cc1)O[Si](C)(C)C
InChIInChI=1S/C19H22OSi/c1-16(20-21(2,3)4)10-11-17-12-14-19(15-13-17)18-8-6-5-7-9-18/h5-15H,1H2,2-4H3
InChIKeyHBOBOUMZIISRPR-UHFFFAOYSA-N
MW294.47 g/mol
LogP5.73
Rot. Bonds5

About trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane

trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane (PubChem CID 85401954) has the molecular formula C19H22OSi and a molecular weight of 294.47 g/mol. Its IUPAC name is trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane
PubChem CID85401954
Molecular FormulaC19H22OSi
Molecular Weight294.47 g/mol
Exact Mass294.14
IUPAC Nametrimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane
SMILESC=C(C=Cc1ccc(-c2ccccc2)cc1)O[Si](C)(C)C
InChIInChI=1S/C19H22OSi/c1-16(20-21(2,3)4)10-11-17-12-14-19(15-13-17)18-8-6-5-7-9-18/h5-15H,1H2,2-4H3
InChIKeyHBOBOUMZIISRPR-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.47
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
[methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate
CID 21307548
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
1-[(1E)-3-benzylbuta-1,3-dienyl]-4-methylbenzene
CID 102460258
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
methyl 3-[4-[4-(3-methoxy-3-oxoprop-1-enyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]prop-2-enoate
CID 76777420
4-[(1E)-3-methoxybuta-1,3-dienyl]phenol
CID 144568960
3-methylidenehexa-1,5-dienylbenzene
CID 91462771
trimethyl-[(1E,3Z)-1-phenylocta-1,3-dien-3-yl]oxysilane
CID 134982365

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane?
The IUPAC name of trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane (CID 85401954) is trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane.
What is the SMILES notation for trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane?
The canonical SMILES for trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane is C=C(C=Cc1ccc(-c2ccccc2)cc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane?
The InChIKey is HBOBOUMZIISRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OSi/c1-16(20-21(2,3)4)10-11-17-12-14-19(15-13-17)18-8-6-5-7-9-18/h5-15H,1H2,2-4H3.
What are the key properties of trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane?
trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane has a molecular weight of 294.47 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(4-phenylphenyl)buta-1,3-dien-2-yloxy]silane is sourced from PubChem (CID 85401954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).