(2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial

C16H32O3Si — CID 135077678

IUPAC(2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial
SMILESCC(C=O)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C=O
InChIInChI=1S/C16H32O3Si/c1-11(2)20(12(3)4,13(5)6)19-16(14(7)9-17)15(8)10-18/h9-16H,1-8H3/t14-,15?,16?/m0/s1
InChIKeyYVVUHLUFINFYGD-FHERZECASA-N
MW300.51 g/mol
LogP4.22
Rot. Bonds9

About (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial

(2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial (PubChem CID 135077678) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial.

Molecular Properties

Compound Name(2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial
PubChem CID135077678
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name(2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial
SMILESCC(C=O)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C=O
InChIInChI=1S/C16H32O3Si/c1-11(2)20(12(3)4,13(5)6)19-16(14(7)9-17)15(8)10-18/h9-16H,1-8H3/t14-,15?,16?/m0/s1
InChIKeyYVVUHLUFINFYGD-FHERZECASA-N
XLogP4.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
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

3-((Tert-butyldimethylsilyl)oxy)pentanal
CID 14280331
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 10911390
(2R,3R)-3-((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11118283
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentanal
CID 10846404
(2S,3S)-3-(t-Butyldimethylsilyloxy)-2-methylhexanal
CID 10879364
(2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanedial
CID 10491464
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal
CID 10900883
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 10988078
(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,3R)-2-methyl-3-triethylsilyloxybutanal
CID 11206709
(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
CID 11245787

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial?
The IUPAC name of (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial (CID 135077678) is (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial.
What is the SMILES notation for (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial?
The canonical SMILES for (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial is CC(C=O)C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial?
The InChIKey is YVVUHLUFINFYGD-FHERZECASA-N. The full InChI is InChI=1S/C16H32O3Si/c1-11(2)20(12(3)4,13(5)6)19-16(14(7)9-17)15(8)10-18/h9-16H,1-8H3/t14-,15?,16?/m0/s1.
What are the key properties of (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial?
(2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial has a molecular weight of 300.51 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanedial is sourced from PubChem (CID 135077678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).