(2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal

C29H66O5Si4 — CID 102304391

IUPAC(2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H66O5Si4/c1-26(2,3)35(13,14)31-22-24(33-37(17,18)28(7,8)9)25(34-38(19,20)29(10,11)12)23(21-30)32-36(15,16)27(4,5)6/h21,23-25H,22H2,1-20H3/t23-,24+,25+/m1/s1
InChIKeyZBLHJISHEGHMOL-DSITVLBTSA-N
MW607.19 g/mol
LogP9.38
Rot. Bonds12

About (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal

(2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal (PubChem CID 102304391) has the molecular formula C29H66O5Si4 and a molecular weight of 607.19 g/mol. Its IUPAC name is (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal.

Molecular Properties

Compound Name(2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal
PubChem CID102304391
Molecular FormulaC29H66O5Si4
Molecular Weight607.19 g/mol
Exact Mass606.40
IUPAC Name(2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H66O5Si4/c1-26(2,3)35(13,14)31-22-24(33-37(17,18)28(7,8)9)25(34-38(19,20)29(10,11)12)23(21-30)32-36(15,16)27(4,5)6/h21,23-25H,22H2,1-20H3/t23-,24+,25+/m1/s1
InChIKeyZBLHJISHEGHMOL-DSITVLBTSA-N
XLogP9.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.19
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 522260
2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
l-Fucose, tetra-TMS-ether
CID 529420
D-2-Deoxyribose, 3TMS derivative
CID 553079
(2S,3S,4R,5R)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 15695113
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxypentanal
CID 11336946
(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial
CID 100980675
(4S,4aS,8aR)-2,2,6,6-tetratert-butyl-4,4a,8,8a-tetrahydro-[1,3,2]dioxasilino[5,4-d][1,3,2]dioxasiline-4-carbaldehyde
CID 101538105
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 139249865
(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial
CID 154707128
(2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal
CID 11620881
D(+)-Fucose, aldol, TMS
CID 14057174

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The IUPAC name of (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal (CID 102304391) is (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal.
What is the SMILES notation for (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The canonical SMILES for (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal is CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The InChIKey is ZBLHJISHEGHMOL-DSITVLBTSA-N. The full InChI is InChI=1S/C29H66O5Si4/c1-26(2,3)35(13,14)31-22-24(33-37(17,18)28(7,8)9)25(34-38(19,20)29(10,11)12)23(21-30)32-36(15,16)27(4,5)6/h21,23-25H,22H2,1-20H3/t23-,24+,25+/m1/s1.
What are the key properties of (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
(2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal has a molecular weight of 607.19 g/mol, XLogP of 9.38, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal is sourced from PubChem (CID 102304391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).