(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal

C18H30O2Si — CID 10590802

IUPAC(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H](CCc1ccccc1)C(C)C=O
InChIInChI=1S/C18H30O2Si/c1-5-21(6-2,7-3)20-18(16(4)15-19)14-13-17-11-9-8-10-12-17/h8-12,15-16,18H,5-7,13-14H2,1-4H3/t16?,18-/m1/s1
InChIKeyIRQRSSAVGFAFJD-UHUGOGIASA-N
MW306.52 g/mol
LogP4.84
Rot. Bonds10

About (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal

(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal (PubChem CID 10590802) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal.

Molecular Properties

Compound Name(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
PubChem CID10590802
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H](CCc1ccccc1)C(C)C=O
InChIInChI=1S/C18H30O2Si/c1-5-21(6-2,7-3)20-18(16(4)15-19)14-13-17-11-9-8-10-12-17/h8-12,15-16,18H,5-7,13-14H2,1-4H3/t16?,18-/m1/s1
InChIKeyIRQRSSAVGFAFJD-UHUGOGIASA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.84
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

(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal
CID 102467698
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
(E,5S,6R)-6-methyl-8-phenyl-5-triethylsilyloxyoct-2-enoic acid
CID 101407480
(3R)-5-phenyl-3-triethylsilyloxypentanal
CID 87401786
(2S,3R)-2,3-dimethyl-5-phenylpentanal
CID 88857677
(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal
CID 11382954
(E,4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-en-1-ol
CID 11824661
(3S)-3-phenyl-3-triethylsilyloxypropanal
CID 10923425
methyl (E,4S,5R)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733589
(2S,3S)-3-(4-bromophenyl)-2-methyl-3-triethylsilyloxypropanal
CID 135019858
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
CID 15396344
triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane
CID 67429705

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal?
The IUPAC name of (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal (CID 10590802) is (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal.
What is the SMILES notation for (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal?
The canonical SMILES for (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal is CC[Si](CC)(CC)O[C@H](CCc1ccccc1)C(C)C=O.
What is the InChIKey of (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal?
The InChIKey is IRQRSSAVGFAFJD-UHUGOGIASA-N. The full InChI is InChI=1S/C18H30O2Si/c1-5-21(6-2,7-3)20-18(16(4)15-19)14-13-17-11-9-8-10-12-17/h8-12,15-16,18H,5-7,13-14H2,1-4H3/t16?,18-/m1/s1.
What are the key properties of (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal?
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal has a molecular weight of 306.52 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal is sourced from PubChem (CID 10590802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).