(3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal

C18H22O2Si — CID 134843117

IUPAC(3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc([C@H](CC=O)[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C18H22O2Si/c1-20-16-11-9-15(10-12-16)18(13-14-19)21(2,3)17-7-5-4-6-8-17/h4-12,14,18H,13H2,1-3H3/t18-/m0/s1
InChIKeyUUXFTBYTHUCZHU-SFHVURJKSA-N
MW298.46 g/mol
LogP3.52
Rot. Bonds6

About (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal

(3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal (PubChem CID 134843117) has the molecular formula C18H22O2Si and a molecular weight of 298.46 g/mol. Its IUPAC name is (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal.

Molecular Properties

Compound Name(3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal
PubChem CID134843117
Molecular FormulaC18H22O2Si
Molecular Weight298.46 g/mol
Exact Mass298.14
IUPAC Name(3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc([C@H](CC=O)[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C18H22O2Si/c1-20-16-11-9-15(10-12-16)18(13-14-19)21(2,3)17-7-5-4-6-8-17/h4-12,14,18H,13H2,1-3H3/t18-/m0/s1
InChIKeyUUXFTBYTHUCZHU-SFHVURJKSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[dimethyl(phenyl)silyl]-3-trimethylsilylpropanal
CID 102292717
2-[2-[dimethyl(phenyl)silyl]ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-(4-methoxyphenyl)ethyl]phenol;2-[2-[dimethyl(phenyl)silyl]-2-phenylethyl]phenol;2-[2-[dimethyl(phenyl)silyl]propyl]phenol
CID 158641197
methyl (E,5S)-5-[dimethyl(phenyl)silyl]-7-oxohept-2-enoate
CID 11011733
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate
CID 101416087
dimethyl 2-[1-(4-methoxyphenyl)-3-oxopropyl]propanedioate
CID 132581171
(E,3R)-7-(4-methoxyphenyl)-7-oxo-3-phenylhept-5-enal
CID 134950945
(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 16757036
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
2-[[dimethyl(phenyl)silyl]-(2-oxoethyl)phosphanyl]acetaldehyde
CID 91140202
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one
CID 584995

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal?
The IUPAC name of (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal (CID 134843117) is (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal.
What is the SMILES notation for (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal?
The canonical SMILES for (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal is COc1ccc([C@H](CC=O)[Si](C)(C)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal?
The InChIKey is UUXFTBYTHUCZHU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22O2Si/c1-20-16-11-9-15(10-12-16)18(13-14-19)21(2,3)17-7-5-4-6-8-17/h4-12,14,18H,13H2,1-3H3/t18-/m0/s1.
What are the key properties of (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal?
(3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal has a molecular weight of 298.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[dimethyl(phenyl)silyl]-3-(4-methoxyphenyl)propanal is sourced from PubChem (CID 134843117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).