(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid

C17H38O5Si2 — CID 22869810

IUPAC(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O5Si2/c1-16(2,3)23(7,8)21-12-13(18)14(11-15(19)20)22-24(9,10)17(4,5)6/h13-14,18H,11-12H2,1-10H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyIQZHHJSSNIZXDP-KGLIPLIRSA-N
MW378.66 g/mol
LogP4.23
Rot. Bonds8

About (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid

(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid (PubChem CID 22869810) has the molecular formula C17H38O5Si2 and a molecular weight of 378.66 g/mol. Its IUPAC name is (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid.

Molecular Properties

Compound Name(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid
PubChem CID22869810
Molecular FormulaC17H38O5Si2
Molecular Weight378.66 g/mol
Exact Mass378.23
IUPAC Name(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O5Si2/c1-16(2,3)23(7,8)21-12-13(18)14(11-15(19)20)22-24(9,10)17(4,5)6/h13-14,18H,11-12H2,1-10H3,(H,19,20)/t13-,14+/m1/s1
InChIKeyIQZHHJSSNIZXDP-KGLIPLIRSA-N
XLogP4.23
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid?
The IUPAC name of (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid (CID 22869810) is (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid.
What is the SMILES notation for (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid?
The canonical SMILES for (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid is CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid?
The InChIKey is IQZHHJSSNIZXDP-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H38O5Si2/c1-16(2,3)23(7,8)21-12-13(18)14(11-15(19)20)22-24(9,10)17(4,5)6/h13-14,18H,11-12H2,1-10H3,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid?
(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid has a molecular weight of 378.66 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid is sourced from PubChem (CID 22869810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).