[(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol

C19H38O5Si — CID 71523827

IUPAC[(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol
SMILESC[C@H]1COC(C)(C)O[C@H]([C@H](C[C@@H]2O[C@H]2CO)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H38O5Si/c1-13-9-15(23-19(5,6)21-12-13)16(10-14-17(11-20)22-14)24-25(7,8)18(2,3)4/h13-17,20H,9-12H2,1-8H3/t13-,14+,15+,16+,17+/m1/s1
InChIKeyAVNWQTHRLMKFSS-XAJHFOFHSA-N
MW374.59 g/mol
LogP3.70
Rot. Bonds6

About [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol

[(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol (PubChem CID 71523827) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol
PubChem CID71523827
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name[(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol
SMILESC[C@H]1COC(C)(C)O[C@H]([C@H](C[C@@H]2O[C@H]2CO)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H38O5Si/c1-13-9-15(23-19(5,6)21-12-13)16(10-14-17(11-20)22-14)24-25(7,8)18(2,3)4/h13-17,20H,9-12H2,1-8H3/t13-,14+,15+,16+,17+/m1/s1
InChIKeyAVNWQTHRLMKFSS-XAJHFOFHSA-N
XLogP3.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol with MolForge

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Related Compounds

(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
CID 10961103
[(1S,3S,4S,4'R,5R,5'R,6S,6'R)-4',5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5'-dimethyl-6'-propan-2-ylspiro[2-oxabicyclo[4.1.0]heptane-3,2'-oxane]-1-yl]methanol
CID 11375979
[(2S,3S)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]ethyl]oxiran-2-yl]methanol
CID 11438987
[(2S,4R,5R)-5-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-(oxan-2-yloxy)oxolan-2-yl]methanol
CID 15981859
(2S,3R,6S,7R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(hydroxymethyl)-2,7-dimethyloxepane-3,6-diol
CID 51050895
(1R,2S,3R,4R)-4-[(4R,5S,6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 53473906
(1S,2S,3S,4R)-4-[(4R,5S,6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 53473909
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]propan-1-ol
CID 71523786
(2R,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-(methoxymethoxy)-4-methylheptan-1-ol
CID 135012009
[(4R,6S)-6-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]ethyl]-2,2-diethyl-1,3-dioxan-4-yl]methanol
CID 72713817
(2S,3R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhexan-3-ol
CID 157323610
(2S,3S)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhexan-3-ol
CID 158200976

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol (CID 71523827) is [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol is C[C@H]1COC(C)(C)O[C@H]([C@H](C[C@@H]2O[C@H]2CO)O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol?
The InChIKey is AVNWQTHRLMKFSS-XAJHFOFHSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-13-9-15(23-19(5,6)21-12-13)16(10-14-17(11-20)22-14)24-25(7,8)18(2,3)4/h13-17,20H,9-12H2,1-8H3/t13-,14+,15+,16+,17+/m1/s1.
What are the key properties of [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol?
[(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol has a molecular weight of 374.59 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]ethyl]oxiran-2-yl]methanol is sourced from PubChem (CID 71523827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).