4-phenyl-1-trimethylsilylhept-6-en-1-one

C16H24OSi — CID 102315107

IUPAC4-phenyl-1-trimethylsilylhept-6-en-1-one
SMILESC=CCC(CCC(=O)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-5-9-14(15-10-7-6-8-11-15)12-13-16(17)18(2,3)4/h5-8,10-11,14H,1,9,12-13H2,2-4H3
InChIKeyJTDLHMMYCHGTML-UHFFFAOYSA-N
MW260.45 g/mol
LogP4.57
Rot. Bonds7

About 4-phenyl-1-trimethylsilylhept-6-en-1-one

4-phenyl-1-trimethylsilylhept-6-en-1-one (PubChem CID 102315107) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is 4-phenyl-1-trimethylsilylhept-6-en-1-one.

Molecular Properties

Compound Name4-phenyl-1-trimethylsilylhept-6-en-1-one
PubChem CID102315107
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name4-phenyl-1-trimethylsilylhept-6-en-1-one
SMILESC=CCC(CCC(=O)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-5-9-14(15-10-7-6-8-11-15)12-13-16(17)18(2,3)4/h5-8,10-11,14H,1,9,12-13H2,2-4H3
InChIKeyJTDLHMMYCHGTML-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.57
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'}

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Related Compounds

1,4-diphenylhept-6-en-1-one
CID 22894004
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649
oct-1-en-4-ylbenzene
CID 22247233
N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
CID 3046459
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
ethyl 3-phenylhex-5-enoate
CID 11481375
(3S)-3-phenylhex-5-enal
CID 11229081
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
1-methyl-4-(3-phenylhex-5-enylsulfonyl)benzene
CID 158844988
(5R)-7-phenyldec-9-en-5-ol
CID 134965025
1,4-diphenyl-5-trimethylsilylpentan-1-one
CID 102209299

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-trimethylsilylhept-6-en-1-one?
The IUPAC name of 4-phenyl-1-trimethylsilylhept-6-en-1-one (CID 102315107) is 4-phenyl-1-trimethylsilylhept-6-en-1-one.
What is the SMILES notation for 4-phenyl-1-trimethylsilylhept-6-en-1-one?
The canonical SMILES for 4-phenyl-1-trimethylsilylhept-6-en-1-one is C=CCC(CCC(=O)[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 4-phenyl-1-trimethylsilylhept-6-en-1-one?
The InChIKey is JTDLHMMYCHGTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSi/c1-5-9-14(15-10-7-6-8-11-15)12-13-16(17)18(2,3)4/h5-8,10-11,14H,1,9,12-13H2,2-4H3.
What are the key properties of 4-phenyl-1-trimethylsilylhept-6-en-1-one?
4-phenyl-1-trimethylsilylhept-6-en-1-one has a molecular weight of 260.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-trimethylsilylhept-6-en-1-one is sourced from PubChem (CID 102315107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).