3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal

C9H16O4Si — CID 18974636

IUPAC3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal
SMILESC=C(C)C(=O)[Si](CCC=O)(OC)OC
InChIInChI=1S/C9H16O4Si/c1-8(2)9(11)14(12-3,13-4)7-5-6-10/h6H,1,5,7H2,2-4H3
InChIKeyOZHLOVWDAQBATN-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.99
Rot. Bonds7

About 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal

3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal (PubChem CID 18974636) has the molecular formula C9H16O4Si and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal.

Molecular Properties

Compound Name3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal
PubChem CID18974636
Molecular FormulaC9H16O4Si
Molecular Weight216.31 g/mol
Exact Mass216.08
IUPAC Name3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal
SMILESC=C(C)C(=O)[Si](CCC=O)(OC)OC
InChIInChI=1S/C9H16O4Si/c1-8(2)9(11)14(12-3,13-4)7-5-6-10/h6H,1,5,7H2,2-4H3
InChIKeyOZHLOVWDAQBATN-UHFFFAOYSA-N
XLogP0.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-((tert-Butyldimethylsilyl)oxy)-2-methylbut-2-enal
CID 11790577
2-[Tert-butyl(dimethyl)silyl]oxyprop-2-enal
CID 11446774
2-(Trimethylsilylmethyl)prop-2-enal
CID 11789313
(E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal
CID 11807308
(2E)-2-(trimethylsilyloxymethylidene)butanal
CID 13598521
2-Ethyl-3-trimethylsiloxyacrolein
CID 85521850
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal
CID 134855314
(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal
CID 134880868
(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enal
CID 13897981
2-Methylidene-4-tri(propan-2-yl)silylbut-3-ynal
CID 11736517
2-Methyl-1-triethoxysilylprop-2-en-1-one
CID 17852494
2-({[tert-Butyl(dimethyl)silyl]oxy}methyl)prop-2-enal
CID 57413402

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal?
The IUPAC name of 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal (CID 18974636) is 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal.
What is the SMILES notation for 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal?
The canonical SMILES for 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal is C=C(C)C(=O)[Si](CCC=O)(OC)OC.
What is the InChIKey of 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal?
The InChIKey is OZHLOVWDAQBATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4Si/c1-8(2)9(11)14(12-3,13-4)7-5-6-10/h6H,1,5,7H2,2-4H3.
What are the key properties of 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal?
3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal has a molecular weight of 216.31 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(2-methylprop-2-enoyl)silyl]propanal is sourced from PubChem (CID 18974636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).