(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial

C14H32O5Si3 — CID 100980675

IUPAC(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial
SMILESC[Si](C)(C)OC([C@H](C=O)O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-20(2,3)17-12(10-15)14(19-22(7,8)9)13(11-16)18-21(4,5)6/h10-14H,1-9H3/t12-,13-/m0/s1
InChIKeyRCQDHSMBUVIOPY-STQMWFEESA-N
MW364.66 g/mol
LogP3.04
Rot. Bonds10

About (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial

(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial (PubChem CID 100980675) has the molecular formula C14H32O5Si3 and a molecular weight of 364.66 g/mol. Its IUPAC name is (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial.

Molecular Properties

Compound Name(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial
PubChem CID100980675
Molecular FormulaC14H32O5Si3
Molecular Weight364.66 g/mol
Exact Mass364.16
IUPAC Name(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial
SMILESC[Si](C)(C)OC([C@H](C=O)O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-20(2,3)17-12(10-15)14(19-22(7,8)9)13(11-16)18-21(4,5)6/h10-14H,1-9H3/t12-,13-/m0/s1
InChIKeyRCQDHSMBUVIOPY-STQMWFEESA-N
XLogP3.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 53.04
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

2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
D-2-Deoxyribose, 3TMS derivative
CID 553079
(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial
CID 154707128
alpha-2-Deoxy-D-ribose, TMS
CID 91750433
D(-)-Erythrose, aldol, TMS
CID 91750474
Arabinose, tetrakis-TMS
CID 91751172
(2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
CID 22211826
(2R,3S,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
CID 22211825
(2R,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
CID 22212085
(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

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial?
The IUPAC name of (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial (CID 100980675) is (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial.
What is the SMILES notation for (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial?
The canonical SMILES for (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial is C[Si](C)(C)OC([C@H](C=O)O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C.
What is the InChIKey of (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial?
The InChIKey is RCQDHSMBUVIOPY-STQMWFEESA-N. The full InChI is InChI=1S/C14H32O5Si3/c1-20(2,3)17-12(10-15)14(19-22(7,8)9)13(11-16)18-21(4,5)6/h10-14H,1-9H3/t12-,13-/m0/s1.
What are the key properties of (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial?
(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial has a molecular weight of 364.66 g/mol, XLogP of 3.04, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial is sourced from PubChem (CID 100980675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).