[dimethyl(prop-2-enyl)silyl]-phenylmethanone

C12H16OSi — CID 135057035

IUPAC[dimethyl(prop-2-enyl)silyl]-phenylmethanone
SMILESC=CC[Si](C)(C)C(=O)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-4-10-14(2,3)12(13)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
InChIKeyIPMCDEMRYUJYCB-UHFFFAOYSA-N
MW204.34 g/mol
LogP3.30
Rot. Bonds4

About [dimethyl(prop-2-enyl)silyl]-phenylmethanone

[dimethyl(prop-2-enyl)silyl]-phenylmethanone (PubChem CID 135057035) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is [dimethyl(prop-2-enyl)silyl]-phenylmethanone.

Molecular Properties

Compound Name[dimethyl(prop-2-enyl)silyl]-phenylmethanone
PubChem CID135057035
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name[dimethyl(prop-2-enyl)silyl]-phenylmethanone
SMILESC=CC[Si](C)(C)C(=O)c1ccccc1
InChIInChI=1S/C12H16OSi/c1-4-10-14(2,3)12(13)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
InChIKeyIPMCDEMRYUJYCB-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 53.30
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

(benzoyloxy-methyl-prop-2-enylsilyl) benzoate
CID 54168383
CID 102012562
CID 102012562
azane;3-chloroprop-1-ene;1,2-diphenylethane-1,2-dione
CID 70188941
diphenylmethanone;1-phenylbut-3-en-1-one
CID 122640182
1-phenylbut-3-ene-1-thione
CID 23072627
methanamine;1-phenylprop-2-en-1-one
CID 91395058
1-phenylethanone;prop-2-enoic acid
CID 67861534
N-[(3R)-4,4-dicyano-3-[dimethyl(prop-2-enyl)silyl]butanoyl]benzamide
CID 102574380
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
benzyl-[(1Z)-1,2-diphenylpenta-1,4-dienyl]-dimethylsilane
CID 101475811
chloroethene;diphenylmethanone
CID 159955636

Frequently Asked Questions

What is the IUPAC name of [dimethyl(prop-2-enyl)silyl]-phenylmethanone?
The IUPAC name of [dimethyl(prop-2-enyl)silyl]-phenylmethanone (CID 135057035) is [dimethyl(prop-2-enyl)silyl]-phenylmethanone.
What is the SMILES notation for [dimethyl(prop-2-enyl)silyl]-phenylmethanone?
The canonical SMILES for [dimethyl(prop-2-enyl)silyl]-phenylmethanone is C=CC[Si](C)(C)C(=O)c1ccccc1.
What is the InChIKey of [dimethyl(prop-2-enyl)silyl]-phenylmethanone?
The InChIKey is IPMCDEMRYUJYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-4-10-14(2,3)12(13)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3.
What are the key properties of [dimethyl(prop-2-enyl)silyl]-phenylmethanone?
[dimethyl(prop-2-enyl)silyl]-phenylmethanone has a molecular weight of 204.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(prop-2-enyl)silyl]-phenylmethanone is sourced from PubChem (CID 135057035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).