1-[methoxy(propyl)silyl]prop-2-en-1-one

C7H14O2Si — CID 175732337

IUPAC1-[methoxy(propyl)silyl]prop-2-en-1-one
SMILESC=CC(=O)[SiH](CCC)OC
InChIInChI=1S/C7H14O2Si/c1-4-6-10(9-3)7(8)5-2/h5,10H,2,4,6H2,1,3H3
InChIKeyQDUGOFAKZJYWRX-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.06
Rot. Bonds5

About 1-[methoxy(propyl)silyl]prop-2-en-1-one

1-[methoxy(propyl)silyl]prop-2-en-1-one (PubChem CID 175732337) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-[methoxy(propyl)silyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[methoxy(propyl)silyl]prop-2-en-1-one
PubChem CID175732337
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1-[methoxy(propyl)silyl]prop-2-en-1-one
SMILESC=CC(=O)[SiH](CCC)OC
InChIInChI=1S/C7H14O2Si/c1-4-6-10(9-3)7(8)5-2/h5,10H,2,4,6H2,1,3H3
InChIKeyQDUGOFAKZJYWRX-UHFFFAOYSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.06
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

dimethoxy(propyl)silane;propyl prop-2-enoate
CID 174852514
dichloro(propyl)silane;prop-2-enamide
CID 159453963
bis(methyl prop-2-enoate);propane
CID 160610529
2-dimethoxysilylethyl prop-2-enoate
CID 123256455
[ethyl(methyl)amino] prop-2-enoate
CID 154170734
but-1-ene;trimethoxysilane
CID 162022508
prop-2-enoic acid;1,1,1-triethoxypropane
CID 174826427
butan-1-ol;prop-2-enoic acid
CID 18402454
dimethoxymethane;methyl prop-2-enoate
CID 162245850
benzene;dimethoxymethane;prop-2-enoic acid
CID 174603186
ethenol;trimethoxysilane
CID 175251073
methoxymethane;prop-2-enoic acid
CID 22665045

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(propyl)silyl]prop-2-en-1-one?
The IUPAC name of 1-[methoxy(propyl)silyl]prop-2-en-1-one (CID 175732337) is 1-[methoxy(propyl)silyl]prop-2-en-1-one.
What is the SMILES notation for 1-[methoxy(propyl)silyl]prop-2-en-1-one?
The canonical SMILES for 1-[methoxy(propyl)silyl]prop-2-en-1-one is C=CC(=O)[SiH](CCC)OC.
What is the InChIKey of 1-[methoxy(propyl)silyl]prop-2-en-1-one?
The InChIKey is QDUGOFAKZJYWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-4-6-10(9-3)7(8)5-2/h5,10H,2,4,6H2,1,3H3.
What are the key properties of 1-[methoxy(propyl)silyl]prop-2-en-1-one?
1-[methoxy(propyl)silyl]prop-2-en-1-one has a molecular weight of 158.27 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(propyl)silyl]prop-2-en-1-one is sourced from PubChem (CID 175732337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).