(4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one

C18H26OSi — CID 11335171

IUPAC(4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one
SMILESC=CC(=O)[C@@H](C)[C@@H](/C=C/C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H26OSi/c1-6-18(19)15(2)17(13-10-14-20(3,4)5)16-11-8-7-9-12-16/h6-13,15,17H,1,14H2,2-5H3/b13-10+/t15-,17+/m0/s1
InChIKeyOGLVHGHFUBTCHA-UJDGICINSA-N
MW286.49 g/mol
LogP5.06
Rot. Bonds7

About (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one

(4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one (PubChem CID 11335171) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one.

Molecular Properties

Compound Name(4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one
PubChem CID11335171
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Name(4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one
SMILESC=CC(=O)[C@@H](C)[C@@H](/C=C/C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H26OSi/c1-6-18(19)15(2)17(13-10-14-20(3,4)5)16-11-8-7-9-12-16/h6-13,15,17H,1,14H2,2-5H3/b13-10+/t15-,17+/m0/s1
InChIKeyOGLVHGHFUBTCHA-UJDGICINSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5S,6R,7E)-5-methyl-6-phenyl-9-trimethylsilylnona-1,7-dien-4-ol
CID 11335668
trimethyl-[(E)-4-phenylpent-2-enyl]silane
CID 10889393
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
4-methyl-5-phenylpent-1-en-3-one
CID 21353103
(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
CID 101106671
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
CID 134922582
N,N,2-trimethyl-3-phenylpent-4-enamide
CID 132648038
(E)-4-(benzenesulfonyl)-7-trimethylsilylhept-5-en-2-ol
CID 10806076
4-phenyl-1-trimethylsilylhex-5-en-3-one
CID 101401764
2,2-diphenyl-1-trimethylsilylethanone
CID 15905987
(4R,5S)-5-ethylsulfanyl-4,5-diphenylpent-1-en-3-one
CID 162807530

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one?
The IUPAC name of (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one (CID 11335171) is (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one.
What is the SMILES notation for (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one?
The canonical SMILES for (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one is C=CC(=O)[C@@H](C)[C@@H](/C=C/C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one?
The InChIKey is OGLVHGHFUBTCHA-UJDGICINSA-N. The full InChI is InChI=1S/C18H26OSi/c1-6-18(19)15(2)17(13-10-14-20(3,4)5)16-11-8-7-9-12-16/h6-13,15,17H,1,14H2,2-5H3/b13-10+/t15-,17+/m0/s1.
What are the key properties of (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one?
(4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one has a molecular weight of 286.49 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6E)-4-methyl-5-phenyl-8-trimethylsilylocta-1,6-dien-3-one is sourced from PubChem (CID 11335171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).