(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal

C18H30O2Si — CID 53259150

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
SMILESCC(C=O)[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-15(14-19)17(20-21(5,6)18(2,3)4)13-12-16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3/t15?,17-/m0/s1
InChIKeyORJQTPXOUBCZAT-LWKPJOBUSA-N
MW306.52 g/mol
LogP4.84
Rot. Bonds7

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal (PubChem CID 53259150) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
PubChem CID53259150
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
SMILESCC(C=O)[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-15(14-19)17(20-21(5,6)18(2,3)4)13-12-16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3/t15?,17-/m0/s1
InChIKeyORJQTPXOUBCZAT-LWKPJOBUSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
CID 10590802
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-oxo-9-phenylnonanal
CID 139258405
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
CID 139917803
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine
CID 25179193
tert-butyl-[(3R,4R)-4-(6-chloropurin-9-yl)-1-phenylpentan-3-yl]oxy-dimethylsilane
CID 88851376

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal (CID 53259150) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal is CC(C=O)[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal?
The InChIKey is ORJQTPXOUBCZAT-LWKPJOBUSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-15(14-19)17(20-21(5,6)18(2,3)4)13-12-16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3/t15?,17-/m0/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal has a molecular weight of 306.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal is sourced from PubChem (CID 53259150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).