(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol

C24H36O6Si — CID 72793343

IUPAC(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
SMILESCOCO[C@@H](CO)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C24H36O6Si/c1-24(2,3)31(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-17-23(29-19-27-5)22(16-25)28-18-26-4/h6-15,22-23,25H,16-19H2,1-5H3/t22-,23-/m0/s1
InChIKeyAPVPHSSJOGTNLJ-GOTSBHOMSA-N
MW448.63 g/mol
LogP2.53
Rot. Bonds13

About (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol

(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol (PubChem CID 72793343) has the molecular formula C24H36O6Si and a molecular weight of 448.63 g/mol. Its IUPAC name is (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol.

Molecular Properties

Compound Name(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
PubChem CID72793343
Molecular FormulaC24H36O6Si
Molecular Weight448.63 g/mol
Exact Mass448.23
IUPAC Name(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
SMILESCOCO[C@@H](CO)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C24H36O6Si/c1-24(2,3)31(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-17-23(29-19-27-5)22(16-25)28-18-26-4/h6-15,22-23,25H,16-19H2,1-5H3/t22-,23-/m0/s1
InChIKeyAPVPHSSJOGTNLJ-GOTSBHOMSA-N
XLogP2.53
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663
tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate
CID 11432569
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,3S)-N-benzyl-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-imine
CID 72793402
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
[(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)pent-1-en-3-yl] 2,2,2-trichloroethanimidate
CID 102076304
(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
CID 71504117
2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
CID 132938512
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol?
The IUPAC name of (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol (CID 72793343) is (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol.
What is the SMILES notation for (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol?
The canonical SMILES for (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol is COCO[C@@H](CO)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC.
What is the InChIKey of (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol?
The InChIKey is APVPHSSJOGTNLJ-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H36O6Si/c1-24(2,3)31(20-12-8-6-9-13-20,21-14-10-7-11-15-21)30-17-23(29-19-27-5)22(16-25)28-18-26-4/h6-15,22-23,25H,16-19H2,1-5H3/t22-,23-/m0/s1.
What are the key properties of (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol?
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol has a molecular weight of 448.63 g/mol, XLogP of 2.53, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol is sourced from PubChem (CID 72793343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).