(4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal

C23H50O3Si2 — CID 10938925

IUPAC(4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal
SMILESCC(C)[Si](OC[C@H](CCC=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H50O3Si2/c1-17(2)27(18(3)4,19(5)6)25-16-23(14-13-15-24)26-28(20(7)8,21(9)10)22(11)12/h15,17-23H,13-14,16H2,1-12H3/t23-/m0/s1
InChIKeyJOXAPOODOBFWFG-QHCPKHFHSA-N
MW430.82 g/mol
LogP7.72
Rot. Bonds14

About (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal

(4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal (PubChem CID 10938925) has the molecular formula C23H50O3Si2 and a molecular weight of 430.82 g/mol. Its IUPAC name is (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal.

Molecular Properties

Compound Name(4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal
PubChem CID10938925
Molecular FormulaC23H50O3Si2
Molecular Weight430.82 g/mol
Exact Mass430.33
IUPAC Name(4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal
SMILESCC(C)[Si](OC[C@H](CCC=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H50O3Si2/c1-17(2)27(18(3)4,19(5)6)25-16-23(14-13-15-24)26-28(20(7)8,21(9)10)22(11)12/h15,17-23H,13-14,16H2,1-12H3/t23-/m0/s1
InChIKeyJOXAPOODOBFWFG-QHCPKHFHSA-N
XLogP7.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 57.72
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

D-2-Deoxyribose, 3TMS derivative
CID 553079
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxypentanal
CID 11336946
(4R)-4-triethylsilyloxypentanal
CID 71544951
(3R)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
CID 134878763
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 139249865
alpha-2-Deoxy-D-ribose, TMS
CID 91750433
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 72825330
(4S,5R)-4,6-bis(triethylsilyloxy)-5-tri(propan-2-yl)silyloxyhexanal
CID 140529968
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 144859937
(2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 10641348
(3S)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
CID 10735363
(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 11035400

Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal?
The IUPAC name of (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal (CID 10938925) is (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal.
What is the SMILES notation for (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal?
The canonical SMILES for (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal is CC(C)[Si](OC[C@H](CCC=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal?
The InChIKey is JOXAPOODOBFWFG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H50O3Si2/c1-17(2)27(18(3)4,19(5)6)25-16-23(14-13-15-24)26-28(20(7)8,21(9)10)22(11)12/h15,17-23H,13-14,16H2,1-12H3/t23-/m0/s1.
What are the key properties of (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal?
(4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal has a molecular weight of 430.82 g/mol, XLogP of 7.72, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal is sourced from PubChem (CID 10938925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).