1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one

C9H18O2Si2 — CID 175244889

IUPAC1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one
SMILESC=CC(=O)[SiH](C)C1([SiH3])CCCCO1
InChIInChI=1S/C9H18O2Si2/c1-3-8(10)13(2)9(12)6-4-5-7-11-9/h3,13H,1,4-7H2,2,12H3
InChIKeyBYLKMKGMMYAYBC-UHFFFAOYSA-N
MW214.41 g/mol
LogP-0.06
Rot. Bonds3

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

1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one (PubChem CID 175244889) has the molecular formula C9H18O2Si2 and a molecular weight of 214.41 g/mol. Its IUPAC name is 1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one
PubChem CID175244889
Molecular FormulaC9H18O2Si2
Molecular Weight214.41 g/mol
Exact Mass214.08
IUPAC Name1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one
SMILESC=CC(=O)[SiH](C)C1([SiH3])CCCCO1
InChIInChI=1S/C9H18O2Si2/c1-3-8(10)13(2)9(12)6-4-5-7-11-9/h3,13H,1,4-7H2,2,12H3
InChIKeyBYLKMKGMMYAYBC-UHFFFAOYSA-N
XLogP-0.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.41
LogP ≤ 5-0.06
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

2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one
CID 174738862
2-dimethylsilyloxane-2-thiol
CID 123513196
N-[3-(2-silyloxan-2-yl)propyl]prop-2-enamide
CID 175410453
methyl 3-methyl-2-(2-silyloxan-2-yl)but-2-enoate
CID 174530611
(2-silyloxan-2-yl)phosphane
CID 123679001
(2-prop-2-enyloxan-2-yl)silane
CID 123453490
dimethyl(silyloxy)silane;oxirane;prop-2-enoic acid
CID 173330109
dimethyl-(2-silyloxan-2-yl)oxysilane
CID 174849883
CID 175359532
CID 175359532
N-(2-silyloxan-2-yl)hydroxylamine
CID 173073267
[2-(dihydroxymethyl)oxan-2-yl] prop-2-enoate
CID 141413960
ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate
CID 173263877

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one?
The IUPAC name of 1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one (CID 175244889) is 1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one.
What is the SMILES notation for 1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one?
The canonical SMILES for 1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one is C=CC(=O)[SiH](C)C1([SiH3])CCCCO1.
What is the InChIKey of 1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one?
The InChIKey is BYLKMKGMMYAYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si2/c1-3-8(10)13(2)9(12)6-4-5-7-11-9/h3,13H,1,4-7H2,2,12H3.
What are the key properties of 1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one?
1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one has a molecular weight of 214.41 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one is sourced from PubChem (CID 175244889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).