[(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane

C19H36O4Si — CID 10546210

IUPAC[(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane
SMILESCO[C@H]1O[C@H]([C@H](C[C@@H](C)CC#C[Si](C)(C)C)OC)[C@@H](OC)C[C@H]1C
InChIInChI=1S/C19H36O4Si/c1-14(10-9-11-24(6,7)8)12-16(20-3)18-17(21-4)13-15(2)19(22-5)23-18/h14-19H,10,12-13H2,1-8H3/t14-,15+,16-,17-,18+,19-/m0/s1
InChIKeyJHXZLARYYDWSSL-BDPHEOEISA-N
MW356.58 g/mol
LogP3.71
Rot. Bonds7

About [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane

[(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane (PubChem CID 10546210) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane
PubChem CID10546210
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name[(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane
SMILESCO[C@H]1O[C@H]([C@H](C[C@@H](C)CC#C[Si](C)(C)C)OC)[C@@H](OC)C[C@H]1C
InChIInChI=1S/C19H36O4Si/c1-14(10-9-11-24(6,7)8)12-16(20-3)18-17(21-4)13-15(2)19(22-5)23-18/h14-19H,10,12-13H2,1-8H3/t14-,15+,16-,17-,18+,19-/m0/s1
InChIKeyJHXZLARYYDWSSL-BDPHEOEISA-N
XLogP3.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane
CID 102436340
tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane
CID 11093289
2-[(2S,4S,5R,6S)-4,5-dimethoxy-2,6-dimethylnon-7-ynoxy]oxane
CID 11266964
tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11353609
2-[(2S,3R,4S,5R,6S)-6-(2-iodoethynyl)-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylsilane
CID 134885086
tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 134940741
(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
tert-butyl-[[(4S,10S,12R)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 135056052
Obmcahwikustfn-qqxkllmisa-
CID 21591664
[(2R,4R,5R,6R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102333493
5-[(2R,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyhept-1-ynyl-trimethylsilane
CID 59386480
tert-butyl-[(2R,3R,4S)-2-[(2S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-4-methylhexan-3-yl]oxy-dimethylsilane
CID 60066555

Frequently Asked Questions

What is the IUPAC name of [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane?
The IUPAC name of [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane (CID 10546210) is [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane is CO[C@H]1O[C@H]([C@H](C[C@@H](C)CC#C[Si](C)(C)C)OC)[C@@H](OC)C[C@H]1C.
What is the InChIKey of [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane?
The InChIKey is JHXZLARYYDWSSL-BDPHEOEISA-N. The full InChI is InChI=1S/C19H36O4Si/c1-14(10-9-11-24(6,7)8)12-16(20-3)18-17(21-4)13-15(2)19(22-5)23-18/h14-19H,10,12-13H2,1-8H3/t14-,15+,16-,17-,18+,19-/m0/s1.
What are the key properties of [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane?
[(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane has a molecular weight of 356.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6S)-6-[(2R,3S,5R,6S)-3,6-dimethoxy-5-methyloxan-2-yl]-6-methoxy-4-methylhex-1-ynyl]-trimethylsilane is sourced from PubChem (CID 10546210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).