3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one

C10H16O2Si — CID 173015630

IUPAC3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one
SMILESC[SiH](C)C1(C=C=C=O)CCCCO1
InChIInChI=1S/C10H16O2Si/c1-13(2)10(7-5-8-11)6-3-4-9-12-10/h7,13H,3-4,6,9H2,1-2H3
InChIKeyJECTXXYVWPJUND-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.49
Rot. Bonds2

About 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one

3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one (PubChem CID 173015630) has the molecular formula C10H16O2Si and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one.

Molecular Properties

Compound Name3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one
PubChem CID173015630
Molecular FormulaC10H16O2Si
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one
SMILESC[SiH](C)C1(C=C=C=O)CCCCO1
InChIInChI=1S/C10H16O2Si/c1-13(2)10(7-5-8-11)6-3-4-9-12-10/h7,13H,3-4,6,9H2,1-2H3
InChIKeyJECTXXYVWPJUND-UHFFFAOYSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethoxy-[2-(2-methylprop-1-enyl)oxan-2-yl]silane
CID 174973217
CID 175359532
CID 175359532
2-dimethylsilyloxane-2-thiol
CID 123513196
[2-[(2-dimethylsilyloxan-2-yl)methyl]oxan-2-yl]-ethenyl-methylsilane
CID 173175504
1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one
CID 123142004
dimethyl-[2-(2-silyloxan-2-yl)oxan-2-yl]silane;hydron
CID 175096926
[acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate
CID 173159520
1-[methyl-(2-silyloxan-2-yl)silyl]prop-2-en-1-one
CID 175244889
(2-butyloxan-2-yl)-dimethylsilane
CID 123761011
dimethyl-(2-silyloxan-2-yl)oxysilane
CID 174849883
2-(2-methyloxan-2-yl)acetaldehyde
CID 165478002
2-dimethylsilyl-N-(propylideneamino)oxan-2-amine
CID 174605874

Frequently Asked Questions

What is the IUPAC name of 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one?
The IUPAC name of 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one (CID 173015630) is 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one.
What is the SMILES notation for 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one?
The canonical SMILES for 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one is C[SiH](C)C1(C=C=C=O)CCCCO1.
What is the InChIKey of 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one?
The InChIKey is JECTXXYVWPJUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2Si/c1-13(2)10(7-5-8-11)6-3-4-9-12-10/h7,13H,3-4,6,9H2,1-2H3.
What are the key properties of 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one?
3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one has a molecular weight of 196.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dimethylsilyloxan-2-yl)propa-1,2-dien-1-one is sourced from PubChem (CID 173015630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).