(2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal

C13H18OSi — CID 134895963

IUPAC(2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal
SMILESCC/C(C=O)=C\[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H18OSi/c1-4-12(10-14)11-15(2,3)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3/b12-11+
InChIKeyFINPMTQUCMLBRN-VAWYXSNFSA-N
MW218.37 g/mol
LogP2.68
Rot. Bonds4

About (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal

(2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal (PubChem CID 134895963) has the molecular formula C13H18OSi and a molecular weight of 218.37 g/mol. Its IUPAC name is (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal.

Molecular Properties

Compound Name(2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal
PubChem CID134895963
Molecular FormulaC13H18OSi
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name(2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal
SMILESCC/C(C=O)=C\[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H18OSi/c1-4-12(10-14)11-15(2,3)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3/b12-11+
InChIKeyFINPMTQUCMLBRN-VAWYXSNFSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.68
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

(2Z)-2-[[dimethyl(naphthalen-2-yl)silyl]methylidene]hexanal
CID 11695063
(E)-3-[dimethyl(phenyl)silyl]prop-2-enoic acid
CID 10104447
(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol
CID 11775664
dimethyl-pent-1-enyl-phenylsilane
CID 154195285
[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate
CID 177387999
(2E,4E)-2,4-diethyl-6-phenylhexa-2,4-dienal
CID 66552235
[(Z)-2-[dimethyl(phenyl)silyl]-1-phenylethenyl]-dimethyl-phenylsilane
CID 101395008
[dimethyl-[(E)-2-phenylbut-1-enyl]silyl]-dimethyl-trimethylsilylsilane
CID 10064652
(Z)-6-[dimethyl(phenyl)silyl]hex-5-en-2-one
CID 56926435
1-[4-[(Z)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]ethanone
CID 11652058
(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one
CID 23649548
2-[[dimethyl(phenyl)silyl]methyl]-3-methylbut-2-enal
CID 10955439

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal?
The IUPAC name of (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal (CID 134895963) is (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal.
What is the SMILES notation for (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal?
The canonical SMILES for (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal is CC/C(C=O)=C\[Si](C)(C)c1ccccc1.
What is the InChIKey of (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal?
The InChIKey is FINPMTQUCMLBRN-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H18OSi/c1-4-12(10-14)11-15(2,3)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3/b12-11+.
What are the key properties of (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal?
(2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal has a molecular weight of 218.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal is sourced from PubChem (CID 134895963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).