(2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal

C15H32O3Si — CID 134969090

IUPAC(2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](O[C@H](CCO)[C@H](C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-11(2)19(12(3)4,13(5)6)18-15(8-9-16)14(7)10-17/h10-16H,8-9H2,1-7H3/t14-,15-/m1/s1
InChIKeyAGOZGYZTVRLZIP-HUUCEWRRSA-N
MW288.50 g/mol
LogP3.76
Rot. Bonds9

About (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal

(2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal (PubChem CID 134969090) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal.

Molecular Properties

Compound Name(2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal
PubChem CID134969090
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](O[C@H](CCO)[C@H](C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C15H32O3Si/c1-11(2)19(12(3)4,13(5)6)18-15(8-9-16)14(7)10-17/h10-16H,8-9H2,1-7H3/t14-,15-/m1/s1
InChIKeyAGOZGYZTVRLZIP-HUUCEWRRSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-3-methyl-5-tri(propan-2-yl)silyloxypentanal
CID 11000736
(2S,3S,4R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11003293
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 11111192
(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
CID 11245787
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-triethylsilyloxypentanal
CID 11717470
(2S,3S)-3-hydroxy-4-methyl-2-tri(propan-2-yl)silyloxypentanal
CID 101733082
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal
CID 134963669
3-O-[tert-Butyl(dimethyl)silyl]-2,4-dideoxy-2,4-dimethyl-5-O-(triethylsilyl)-L-arabinose
CID 57352133
(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 57788313
(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal
CID 59891842
(2R,3R,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
CID 87286880
(4R)-2,4-dimethyl-5-oxo-3-triethylsilyloxypentanoic acid
CID 88044954

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal?
The IUPAC name of (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal (CID 134969090) is (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal.
What is the SMILES notation for (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal?
The canonical SMILES for (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal is CC(C)[Si](O[C@H](CCO)[C@H](C)C=O)(C(C)C)C(C)C.
What is the InChIKey of (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal?
The InChIKey is AGOZGYZTVRLZIP-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-11(2)19(12(3)4,13(5)6)18-15(8-9-16)14(7)10-17/h10-16H,8-9H2,1-7H3/t14-,15-/m1/s1.
What are the key properties of (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal?
(2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal has a molecular weight of 288.50 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-hydroxy-2-methyl-3-tri(propan-2-yl)silyloxypentanal is sourced from PubChem (CID 134969090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).