(2S)-2-methyl-3-trimethylsilylbut-3-enal

C8H16OSi — CID 13311859

IUPAC(2S)-2-methyl-3-trimethylsilylbut-3-enal
SMILESC=C([C@@H](C)C=O)[Si](C)(C)C
InChIInChI=1S/C8H16OSi/c1-7(6-9)8(2)10(3,4)5/h6-7H,2H2,1,3-5H3/t7-/m0/s1
InChIKeyKSYKVYLZHNQOEX-ZETCQYMHSA-N
MW156.30 g/mol
LogP2.26
Rot. Bonds3

About (2S)-2-methyl-3-trimethylsilylbut-3-enal

(2S)-2-methyl-3-trimethylsilylbut-3-enal (PubChem CID 13311859) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is (2S)-2-methyl-3-trimethylsilylbut-3-enal.

Molecular Properties

Compound Name(2S)-2-methyl-3-trimethylsilylbut-3-enal
PubChem CID13311859
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name(2S)-2-methyl-3-trimethylsilylbut-3-enal
SMILESC=C([C@@H](C)C=O)[Si](C)(C)C
InChIInChI=1S/C8H16OSi/c1-7(6-9)8(2)10(3,4)5/h6-7H,2H2,1,3-5H3/t7-/m0/s1
InChIKeyKSYKVYLZHNQOEX-ZETCQYMHSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.26
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'}

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Related Compounds

2,4-dimethyl-3-oxopentanedial
CID 59445454
2-methyl-3-oxopent-4-enal
CID 123435726
(E)-2,3-dimethylpent-3-enal
CID 19695132
2-methyl-3-phenylbut-3-enal
CID 22151894
(2-methyl-3-oxopropanoyl) 2-methyl-3-oxopropanoate
CID 87528718
azane;trimethyl(1-trimethylsilylethenyl)silane
CID 88694796
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
hydrogen peroxide;2-methylpropanal
CID 174448714
2-methyl-N,3-dioxopropanamide
CID 123893329
2-methylidene-3-trimethylsilyloxybutanal
CID 130025927
(E,2R)-2,3-dimethylhex-3-enal
CID 88870284
3-[dimethyl(prop-1-en-2-yl)silyl]butanal
CID 15313169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-trimethylsilylbut-3-enal?
The IUPAC name of (2S)-2-methyl-3-trimethylsilylbut-3-enal (CID 13311859) is (2S)-2-methyl-3-trimethylsilylbut-3-enal.
What is the SMILES notation for (2S)-2-methyl-3-trimethylsilylbut-3-enal?
The canonical SMILES for (2S)-2-methyl-3-trimethylsilylbut-3-enal is C=C([C@@H](C)C=O)[Si](C)(C)C.
What is the InChIKey of (2S)-2-methyl-3-trimethylsilylbut-3-enal?
The InChIKey is KSYKVYLZHNQOEX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16OSi/c1-7(6-9)8(2)10(3,4)5/h6-7H,2H2,1,3-5H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-3-trimethylsilylbut-3-enal?
(2S)-2-methyl-3-trimethylsilylbut-3-enal has a molecular weight of 156.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-trimethylsilylbut-3-enal is sourced from PubChem (CID 13311859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).