(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal

C15H24O2Si — CID 102467698

IUPAC(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal
SMILESC[C@H](C=O)[C@H](CCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C15H24O2Si/c1-13(12-16)15(17-18(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15+/m1/s1
InChIKeyMMIXCNHUTDVXBB-HIFRSBDPSA-N
MW264.44 g/mol
LogP3.67
Rot. Bonds7

About (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal

(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal (PubChem CID 102467698) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal.

Molecular Properties

Compound Name(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal
PubChem CID102467698
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal
SMILESC[C@H](C=O)[C@H](CCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C15H24O2Si/c1-13(12-16)15(17-18(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15+/m1/s1
InChIKeyMMIXCNHUTDVXBB-HIFRSBDPSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.67
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

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
CID 10590802
(2S,3R)-2,3-dimethyl-5-phenylpentanal
CID 88857677
[1-(benzenesulfonyl)-3-phenylpropoxy]-trimethylsilane
CID 10980970
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
4-methyl-6-phenylhex-2-enoic acid
CID 70467961
(2S)-4-phenylbutan-2-amine
CID 6994564
(E,5S,6R)-6-methyl-8-phenyl-5-triethylsilyloxyoct-2-enoic acid
CID 101407480
(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
CID 101106671
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-oxo-9-phenylnonanal
CID 139258405
(3R)-5-phenyl-3-triethylsilyloxypentanal
CID 87401786
(2S)-2-benzyl-4-phenylbutanal
CID 58416977

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal?
The IUPAC name of (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal (CID 102467698) is (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal.
What is the SMILES notation for (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal?
The canonical SMILES for (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal is C[C@H](C=O)[C@H](CCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal?
The InChIKey is MMIXCNHUTDVXBB-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-13(12-16)15(17-18(2,3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15+/m1/s1.
What are the key properties of (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal?
(2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal has a molecular weight of 264.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-5-phenyl-3-trimethylsilyloxypentanal is sourced from PubChem (CID 102467698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).