(2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal

C16H34O4Si — CID 11954589

IUPAC(2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal
SMILESCC(C)[Si](OO[C@H](C=O)[C@@H](O)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O4Si/c1-11(2)21(12(3)4,13(5)6)20-19-14(10-17)15(18)16(7,8)9/h10-15,18H,1-9H3/t14-,15-/m1/s1
InChIKeyVEDVQFXLMLJBNQ-HUUCEWRRSA-N
MW318.53 g/mol
LogP4.08
Rot. Bonds8

About (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal

(2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal (PubChem CID 11954589) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal
PubChem CID11954589
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name(2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal
SMILESCC(C)[Si](OO[C@H](C=O)[C@@H](O)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O4Si/c1-11(2)21(12(3)4,13(5)6)20-19-14(10-17)15(18)16(7,8)9/h10-15,18H,1-9H3/t14-,15-/m1/s1
InChIKeyVEDVQFXLMLJBNQ-HUUCEWRRSA-N
XLogP4.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-hydroxy-4-methyl-2-tri(propan-2-yl)silyloxypentanal
CID 101733082
(2S,3S)-3-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxyhexanal
CID 135054907
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal
CID 11299602
2-Hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal
CID 54541467
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal
CID 166003866
2-Hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal
CID 173276819
2-Hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanal
CID 173276886
(2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal
CID 101410817

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal?
The IUPAC name of (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal (CID 11954589) is (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal.
What is the SMILES notation for (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal?
The canonical SMILES for (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal is CC(C)[Si](OO[C@H](C=O)[C@@H](O)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal?
The InChIKey is VEDVQFXLMLJBNQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-11(2)21(12(3)4,13(5)6)20-19-14(10-17)15(18)16(7,8)9/h10-15,18H,1-9H3/t14-,15-/m1/s1.
What are the key properties of (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal?
(2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal has a molecular weight of 318.53 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal is sourced from PubChem (CID 11954589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).