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

C19H42O4Si2 — CID 101410817

IUPAC(2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal
SMILESCC(C)[Si](OO[C@H](C=O)[C@@H](O[Si](C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H42O4Si2/c1-14(2)25(15(3)4,16(5)6)23-21-17(13-20)18(19(7,8)9)22-24(10,11)12/h13-18H,1-12H3/t17-,18-/m1/s1
InChIKeyRDXKMYMZFANYJF-QZTJIDSGSA-N
MW390.71 g/mol
LogP5.94
Rot. Bonds10

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

(2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal (PubChem CID 101410817) has the molecular formula C19H42O4Si2 and a molecular weight of 390.71 g/mol. Its IUPAC name is (2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal.

Molecular Properties

Compound Name(2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal
PubChem CID101410817
Molecular FormulaC19H42O4Si2
Molecular Weight390.71 g/mol
Exact Mass390.26
IUPAC Name(2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal
SMILESCC(C)[Si](OO[C@H](C=O)[C@@H](O[Si](C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H42O4Si2/c1-14(2)25(15(3)4,16(5)6)23-21-17(13-20)18(19(7,8)9)22-24(10,11)12/h13-18H,1-12H3/t17-,18-/m1/s1
InChIKeyRDXKMYMZFANYJF-QZTJIDSGSA-N
XLogP5.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 55.94
H-Bond Donors ≤ 50
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

3-Methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal
CID 101410815
(2S,3S)-3-hydroxy-4,4-dimethyl-2-tri(propan-2-yl)silylperoxypentanal
CID 11954589
(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575524
(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575525
(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575526
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575527
3-[Tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutanal
CID 101860348

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal?
The IUPAC name of (2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal (CID 101410817) is (2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal.
What is the SMILES notation for (2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal?
The canonical SMILES for (2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal is CC(C)[Si](OO[C@H](C=O)[C@@H](O[Si](C)(C)C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal?
The InChIKey is RDXKMYMZFANYJF-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H42O4Si2/c1-14(2)25(15(3)4,16(5)6)23-21-17(13-20)18(19(7,8)9)22-24(10,11)12/h13-18H,1-12H3/t17-,18-/m1/s1.
What are the key properties of (2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal?
(2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal has a molecular weight of 390.71 g/mol, XLogP of 5.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentanal is sourced from PubChem (CID 101410817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).