2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one

C9H16O2Si — CID 174738862

IUPAC2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)C1([SiH3])CCCCO1
InChIInChI=1S/C9H16O2Si/c1-7(2)8(10)9(12)5-3-4-6-11-9/h1,3-6H2,2,12H3
InChIKeyLHGDLMYQDMPXBY-UHFFFAOYSA-N
MW184.31 g/mol
LogP0.39
Rot. Bonds2

About 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one

2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one (PubChem CID 174738862) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one
PubChem CID174738862
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one
SMILESC=C(C)C(=O)C1([SiH3])CCCCO1
InChIInChI=1S/C9H16O2Si/c1-7(2)8(10)9(12)5-3-4-6-11-9/h1,3-6H2,2,12H3
InChIKeyLHGDLMYQDMPXBY-UHFFFAOYSA-N
XLogP0.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
CID 174530611
2-hydroxyethyl 2-(2-silyloxan-2-yl)prop-2-enoate
CID 175186158
[2-(1,2-dimethoxy-3-methylbut-1-enyl)oxan-2-yl]silane
CID 123986696
1-(2-silyloxan-2-yl)propa-1,2-diene-1-thiol
CID 176537455
(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate
CID 141130139
1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one
CID 175244889
N-methyl-2-(2-silyloxan-2-yl)acetamide
CID 173394846
1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one
CID 116747766
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547
hydron;(2-silyloxan-2-yl)silane
CID 174620661
2-methyl-N-(1-methylcyclohexyl)prop-2-enamide
CID 58186034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one?
The IUPAC name of 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one (CID 174738862) is 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one?
The canonical SMILES for 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one is C=C(C)C(=O)C1([SiH3])CCCCO1.
What is the InChIKey of 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one?
The InChIKey is LHGDLMYQDMPXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-7(2)8(10)9(12)5-3-4-6-11-9/h1,3-6H2,2,12H3.
What are the key properties of 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one?
2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one has a molecular weight of 184.31 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 174738862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).