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

C18H42O5Si2 — CID 101252863

IUPAC(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
SMILESCOCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O5Si2/c1-17(2,3)24(8,9)22-12-15(19)16(21-14-20-7)13-23-25(10,11)18(4,5)6/h15-16,19H,12-14H2,1-11H3/t15-,16-/m0/s1
InChIKeyYNPUWYWVLMGLML-HOTGVXAUSA-N
MW394.70 g/mol
LogP4.38
Rot. Bonds10

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

(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol (PubChem CID 101252863) has the molecular formula C18H42O5Si2 and a molecular weight of 394.70 g/mol. Its IUPAC name is (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
PubChem CID101252863
Molecular FormulaC18H42O5Si2
Molecular Weight394.70 g/mol
Exact Mass394.26
IUPAC Name(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
SMILESCOCO[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O5Si2/c1-17(2,3)24(8,9)22-12-15(19)16(21-14-20-7)13-23-25(10,11)18(4,5)6/h15-16,19H,12-14H2,1-11H3/t15-,16-/m0/s1
InChIKeyYNPUWYWVLMGLML-HOTGVXAUSA-N
XLogP4.38
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.70
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one
CID 10948163
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol
CID 58797956
(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
CID 15280451
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
CID 102271148
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
[(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(methoxymethoxy)-2-oxopentyl] 3-oxooctanoate
CID 11103032
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(3R,4R,5S,8S,9S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-bis(methoxymethoxy)-4,8,10-trimethyl-1-trimethylsilylundec-1-yn-3-ol
CID 102356585
3-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-4-hexanoyl-2H-furan-5-one
CID 11038087

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol?
The IUPAC name of (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol (CID 101252863) is (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol.
What is the SMILES notation for (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol?
The canonical SMILES for (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol is COCO[C@@H](CO[Si](C)(C)C(C)(C)C)[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]-3-(methoxymethoxy)butan-2-ol?
The InChIKey is YNPUWYWVLMGLML-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H42O5Si2/c1-17(2,3)24(8,9)22-12-15(19)16(21-14-20-7)13-23-25(10,11)18(4,5)6/h15-16,19H,12-14H2,1-11H3/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol?
(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol has a molecular weight of 394.70 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol is sourced from PubChem (CID 101252863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).