(1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol

C19H38O6Si — CID 101153651

IUPAC(1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
SMILESC=CC[C@H](O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O6Si/c1-11-12-14(20)16-15(13-23-26(9,10)17(2,3)4)24-18(5,21-7)19(6,22-8)25-16/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,16-,18+,19+/m0/s1
InChIKeyJYBDYNWPMINRAY-HRAJDOBDSA-N
MW390.59 g/mol
LogP3.45
Rot. Bonds8

About (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol

(1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol (PubChem CID 101153651) has the molecular formula C19H38O6Si and a molecular weight of 390.59 g/mol. Its IUPAC name is (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
PubChem CID101153651
Molecular FormulaC19H38O6Si
Molecular Weight390.59 g/mol
Exact Mass390.24
IUPAC Name(1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
SMILESC=CC[C@H](O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O6Si/c1-11-12-14(20)16-15(13-23-26(9,10)17(2,3)4)24-18(5,21-7)19(6,22-8)25-16/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,16-,18+,19+/m0/s1
InChIKeyJYBDYNWPMINRAY-HRAJDOBDSA-N
XLogP3.45
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol with MolForge

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Related Compounds

(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
CID 10970397
(2R)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
CID 11024767
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
2-[6-Allyl-3-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl]ethoxy]-tert-butyldimethylsilane
CID 46894694
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
(4S,5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)dodec-1-en-4-ol
CID 138967169
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hept-1-en-3-ol
CID 139252190
(2R,3S,4S,5S,6S)-5-(((R)-but-3-en-2-yl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177093
(2R,3S,4S,5S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-5-(((R)-hex-1-en-3-yl)oxy)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177095
(2R,3R,4S,5S,6S)-4-(((S)-but-3-en-2-yl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,5-diol
CID 166177112
(2R,3S,4S,5S,6S)-5-(((S)-but-3-en-2-yl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177122

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol?
The IUPAC name of (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol (CID 101153651) is (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol.
What is the SMILES notation for (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol?
The canonical SMILES for (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol is C=CC[C@H](O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol?
The InChIKey is JYBDYNWPMINRAY-HRAJDOBDSA-N. The full InChI is InChI=1S/C19H38O6Si/c1-11-12-14(20)16-15(13-23-26(9,10)17(2,3)4)24-18(5,21-7)19(6,22-8)25-16/h11,14-16,20H,1,12-13H2,2-10H3/t14-,15+,16-,18+,19+/m0/s1.
What are the key properties of (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol?
(1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol has a molecular weight of 390.59 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol is sourced from PubChem (CID 101153651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).