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

C14H30O5Si — CID 18654075

IUPAC(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal
SMILESCO[C@H]([C@H](C=O)OC)[C@@H](CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(7,8)19-10-12(17-5)13(18-6)11(9-15)16-4/h9,11-13H,10H2,1-8H3/t11-,12+,13+/m0/s1
InChIKeyQBBSEQWNRJQKSH-YNEHKIRRSA-N
MW306.48 g/mol
LogP2.25
Rot. Bonds9

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

(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal (PubChem CID 18654075) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal.

Molecular Properties

Compound Name(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal
PubChem CID18654075
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal
SMILESCO[C@H]([C@H](C=O)OC)[C@@H](CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(7,8)19-10-12(17-5)13(18-6)11(9-15)16-4/h9,11-13H,10H2,1-8H3/t11-,12+,13+/m0/s1
InChIKeyQBBSEQWNRJQKSH-YNEHKIRRSA-N
XLogP2.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal?
The IUPAC name of (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal (CID 18654075) is (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal.
What is the SMILES notation for (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal?
The canonical SMILES for (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal is CO[C@H]([C@H](C=O)OC)[C@@H](CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal?
The InChIKey is QBBSEQWNRJQKSH-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-14(2,3)20(7,8)19-10-12(17-5)13(18-6)11(9-15)16-4/h9,11-13H,10H2,1-8H3/t11-,12+,13+/m0/s1.
What are the key properties of (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal?
(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal has a molecular weight of 306.48 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal is sourced from PubChem (CID 18654075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).