2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal

C14H20OSi — CID 10955439

IUPAC2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal
SMILESCC(C)=C(C=O)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20OSi/c1-12(2)13(10-15)11-16(3,4)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3
InChIKeyNKVHJWKEOWNTKP-UHFFFAOYSA-N
MW232.40 g/mol
LogP3.14
Rot. Bonds4

About 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal

2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal (PubChem CID 10955439) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal.

Molecular Properties

Compound Name2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal
PubChem CID10955439
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal
SMILESCC(C)=C(C=O)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20OSi/c1-12(2)13(10-15)11-16(3,4)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3
InChIKeyNKVHJWKEOWNTKP-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol
CID 10058832
dimethyl-phenyl-(2,3,3-trifluoroprop-2-enyl)silane
CID 162419783
2-iodoprop-2-enyl-dimethyl-phenylsilane
CID 14028568
3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal
CID 11254347
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane
CID 102120921
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]silane
CID 11658889
dimethyl-phenyl-[(Z)-3-phenylprop-2-enyl]silane
CID 102586986
(2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal
CID 134895963
CID 13412368
CID 13412368
[(2Z)-3-but-3-enyl-7-methylocta-2,6-dienyl]-dimethyl-phenylsilane
CID 101153076
N-[[dimethyl(phenyl)silyl]methyl]prop-2-enamide
CID 166259140

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal?
The IUPAC name of 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal (CID 10955439) is 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal.
What is the SMILES notation for 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal?
The canonical SMILES for 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal is CC(C)=C(C=O)C[Si](C)(C)c1ccccc1.
What is the InChIKey of 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal?
The InChIKey is NKVHJWKEOWNTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSi/c1-12(2)13(10-15)11-16(3,4)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3.
What are the key properties of 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal?
2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal has a molecular weight of 232.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal is sourced from PubChem (CID 10955439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).