3-[dimethyl(prop-1-en-2-yl)silyl]butanal

C9H18OSi — CID 15313169

IUPAC3-[dimethyl(prop-1-en-2-yl)silyl]butanal
SMILESC=C(C)[Si](C)(C)C(C)CC=O
InChIInChI=1S/C9H18OSi/c1-8(2)11(4,5)9(3)6-7-10/h7,9H,1,6H2,2-5H3
InChIKeyVSOSLRGFHJSCEQ-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.79
Rot. Bonds4

About 3-[dimethyl(prop-1-en-2-yl)silyl]butanal

3-[dimethyl(prop-1-en-2-yl)silyl]butanal (PubChem CID 15313169) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 3-[dimethyl(prop-1-en-2-yl)silyl]butanal.

Molecular Properties

Compound Name3-[dimethyl(prop-1-en-2-yl)silyl]butanal
PubChem CID15313169
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name3-[dimethyl(prop-1-en-2-yl)silyl]butanal
SMILESC=C(C)[Si](C)(C)C(C)CC=O
InChIInChI=1S/C9H18OSi/c1-8(2)11(4,5)9(3)6-7-10/h7,9H,1,6H2,2-5H3
InChIKeyVSOSLRGFHJSCEQ-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.79
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

3-trimethylsilylbutanal
CID 14617524
3,7-dimethyl-5-methylideneoctanal
CID 164909395
butan-2-one;3-methylbutanal
CID 158821469
(4S)-3,4,7-trimethyloct-6-enal
CID 89108155
5-ethyl-3-methylhept-4-enal
CID 164909436
(4R)-5-methyl-4-(2-oxoethyl)hex-5-enoic acid
CID 122408291
3-(3,3-diaminoprop-1-en-2-ylamino)butanal
CID 135130114
(2R)-2-methyl-4-oxobutanoic acid
CID 76936806
potassium;hydride;3-methylbutanal
CID 173363476
3-amino-4,5-dihydroxyhexanal;hydrochloride
CID 54600176
3,7-dimethyl-5-(2-methylpropyl)oct-4-enal
CID 164909441
3-[4-(2-methylprop-2-enyl)phenyl]butanal
CID 121334170

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(prop-1-en-2-yl)silyl]butanal?
The IUPAC name of 3-[dimethyl(prop-1-en-2-yl)silyl]butanal (CID 15313169) is 3-[dimethyl(prop-1-en-2-yl)silyl]butanal.
What is the SMILES notation for 3-[dimethyl(prop-1-en-2-yl)silyl]butanal?
The canonical SMILES for 3-[dimethyl(prop-1-en-2-yl)silyl]butanal is C=C(C)[Si](C)(C)C(C)CC=O.
What is the InChIKey of 3-[dimethyl(prop-1-en-2-yl)silyl]butanal?
The InChIKey is VSOSLRGFHJSCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-8(2)11(4,5)9(3)6-7-10/h7,9H,1,6H2,2-5H3.
What are the key properties of 3-[dimethyl(prop-1-en-2-yl)silyl]butanal?
3-[dimethyl(prop-1-en-2-yl)silyl]butanal has a molecular weight of 170.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(prop-1-en-2-yl)silyl]butanal is sourced from PubChem (CID 15313169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).