(3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one

C16H24OSi — CID 12730844

IUPAC(3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one
SMILESCCCC/C(=C/[Si](C)(C)c1ccccc1)C(C)=O
InChIInChI=1S/C16H24OSi/c1-5-6-10-15(14(2)17)13-18(3,4)16-11-8-7-9-12-16/h7-9,11-13H,5-6,10H2,1-4H3/b15-13-
InChIKeyFXXLQUMYIHHAPQ-SQFISAMPSA-N
MW260.45 g/mol
LogP3.85
Rot. Bonds6

About (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one

(3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one (PubChem CID 12730844) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one.

Molecular Properties

Compound Name(3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one
PubChem CID12730844
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name(3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one
SMILESCCCC/C(=C/[Si](C)(C)c1ccccc1)C(C)=O
InChIInChI=1S/C16H24OSi/c1-5-6-10-15(14(2)17)13-18(3,4)16-11-8-7-9-12-16/h7-9,11-13H,5-6,10H2,1-4H3/b15-13-
InChIKeyFXXLQUMYIHHAPQ-SQFISAMPSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one?
The IUPAC name of (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one (CID 12730844) is (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one.
What is the SMILES notation for (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one?
The canonical SMILES for (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one is CCCC/C(=C/[Si](C)(C)c1ccccc1)C(C)=O.
What is the InChIKey of (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one?
The InChIKey is FXXLQUMYIHHAPQ-SQFISAMPSA-N. The full InChI is InChI=1S/C16H24OSi/c1-5-6-10-15(14(2)17)13-18(3,4)16-11-8-7-9-12-16/h7-9,11-13H,5-6,10H2,1-4H3/b15-13-.
What are the key properties of (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one?
(3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one has a molecular weight of 260.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]heptan-2-one is sourced from PubChem (CID 12730844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).