(E)-1-triphenylsilylhept-2-en-1-one

C25H26OSi — CID 15033619

IUPAC(E)-1-triphenylsilylhept-2-en-1-one
SMILESCCCC/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26OSi/c1-2-3-4-14-21-25(26)27(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-21H,2-4H2,1H3/b21-14+
InChIKeyOLGJQHHPWDABPA-KGENOOAVSA-N
MW370.57 g/mol
LogP4.01
Rot. Bonds8

About (E)-1-triphenylsilylhept-2-en-1-one

(E)-1-triphenylsilylhept-2-en-1-one (PubChem CID 15033619) has the molecular formula C25H26OSi and a molecular weight of 370.57 g/mol. Its IUPAC name is (E)-1-triphenylsilylhept-2-en-1-one.

Molecular Properties

Compound Name(E)-1-triphenylsilylhept-2-en-1-one
PubChem CID15033619
Molecular FormulaC25H26OSi
Molecular Weight370.57 g/mol
Exact Mass370.18
IUPAC Name(E)-1-triphenylsilylhept-2-en-1-one
SMILESCCCC/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26OSi/c1-2-3-4-14-21-25(26)27(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-21H,2-4H2,1H3/b21-14+
InChIKeyOLGJQHHPWDABPA-KGENOOAVSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 54.01
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': '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 (E)-1-triphenylsilylhept-2-en-1-one?
The IUPAC name of (E)-1-triphenylsilylhept-2-en-1-one (CID 15033619) is (E)-1-triphenylsilylhept-2-en-1-one.
What is the SMILES notation for (E)-1-triphenylsilylhept-2-en-1-one?
The canonical SMILES for (E)-1-triphenylsilylhept-2-en-1-one is CCCC/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-triphenylsilylhept-2-en-1-one?
The InChIKey is OLGJQHHPWDABPA-KGENOOAVSA-N. The full InChI is InChI=1S/C25H26OSi/c1-2-3-4-14-21-25(26)27(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-21H,2-4H2,1H3/b21-14+.
What are the key properties of (E)-1-triphenylsilylhept-2-en-1-one?
(E)-1-triphenylsilylhept-2-en-1-one has a molecular weight of 370.57 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-triphenylsilylhept-2-en-1-one is sourced from PubChem (CID 15033619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).