(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol

C16H38O4Si2 — CID 21075959

IUPAC(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H38O4Si2/c1-15(2,3)21(7,8)19-11-13(17)14(18)12-20-22(9,10)16(4,5)6/h13-14,17-18H,11-12H2,1-10H3/t13-,14-/m0/s1
InChIKeyZMNUTQHUNQUVDP-KBPBESRZSA-N
MW350.65 g/mol
LogP3.75
Rot. Bonds7

About (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol

(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol (PubChem CID 21075959) has the molecular formula C16H38O4Si2 and a molecular weight of 350.65 g/mol. Its IUPAC name is (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol.

Molecular Properties

Compound Name(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol
PubChem CID21075959
Molecular FormulaC16H38O4Si2
Molecular Weight350.65 g/mol
Exact Mass350.23
IUPAC Name(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H38O4Si2/c1-15(2,3)21(7,8)19-11-13(17)14(18)12-20-22(9,10)16(4,5)6/h13-14,17-18H,11-12H2,1-10H3/t13-,14-/m0/s1
InChIKeyZMNUTQHUNQUVDP-KBPBESRZSA-N
XLogP3.75
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol?
The IUPAC name of (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol (CID 21075959) is (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol.
What is the SMILES notation for (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol?
The canonical SMILES for (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol is CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol?
The InChIKey is ZMNUTQHUNQUVDP-KBPBESRZSA-N. The full InChI is InChI=1S/C16H38O4Si2/c1-15(2,3)21(7,8)19-11-13(17)14(18)12-20-22(9,10)16(4,5)6/h13-14,17-18H,11-12H2,1-10H3/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol?
(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol has a molecular weight of 350.65 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butane-2,3-diol is sourced from PubChem (CID 21075959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).