(2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one

C27H28OSi — CID 101115081

IUPAC(2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one
SMILESCCCC/C=C\C=C\C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28OSi/c1-2-3-4-5-6-16-23-27(28)29(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h5-23H,2-4H2,1H3/b6-5-,23-16+
InChIKeyNNXITTGIWCFWPK-MLBGHKHTSA-N
MW396.61 g/mol
LogP4.57
Rot. Bonds9

About (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one

(2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one (PubChem CID 101115081) has the molecular formula C27H28OSi and a molecular weight of 396.61 g/mol. Its IUPAC name is (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one
PubChem CID101115081
Molecular FormulaC27H28OSi
Molecular Weight396.61 g/mol
Exact Mass396.19
IUPAC Name(2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one
SMILESCCCC/C=C\C=C\C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28OSi/c1-2-3-4-5-6-16-23-27(28)29(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h5-23H,2-4H2,1H3/b6-5-,23-16+
InChIKeyNNXITTGIWCFWPK-MLBGHKHTSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.61
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Triphenylsilanol
CID 69925
Vinyltriphenylsilane
CID 87747
Triphenylsilane
CID 69922
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Methoxytriphenylsilane
CID 74588
Triphenylsilanethiol
CID 621128
Allyltriphenylsilane
CID 278642
Methyltriphenylsilane
CID 522714
1,1,1-Trimethyl-3,3,3-triphenyldisiloxane
CID 522728
Acetyltriphenylsilane
CID 5226386
(Allyloxy)triphenylsilane
CID 4093340
Silane, triphenyl(trifluoroacetyl)-
CID 11024701

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one (CID 101115081) is (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one is CCCC/C=C\C=C\C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one?
The InChIKey is NNXITTGIWCFWPK-MLBGHKHTSA-N. The full InChI is InChI=1S/C27H28OSi/c1-2-3-4-5-6-16-23-27(28)29(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h5-23H,2-4H2,1H3/b6-5-,23-16+.
What are the key properties of (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one?
(2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one has a molecular weight of 396.61 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-triphenylsilylnona-2,4-dien-1-one is sourced from PubChem (CID 101115081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).