tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol

C56H110O10Si3 — CID 160576969

IUPACtert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol
SMILESC=CC[C@@H]1CCC(O)C(OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.C=CC[C@@H]1CCC(O)[C@](OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.C=CC[C@@H]1CCC=C(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/2C19H38O4Si.C18H34O2Si/c2*1-10-11-15-12-13-16(20)19(21-7,23-15)18(5,6)14-22-24(8,9)17(2,3)4;1-9-11-15-12-10-13-16(20-15)18(5,6)14-19-21(7,8)17(2,3)4/h2*10,15-16,20H,1,11-14H2,2-9H3;9,13,15H,1,10-12,14H2,2-8H3/t15-,16?,19?;15-,16?,19-;15-/m111/s1
InChIKeyRBGVQUCSLITZLE-OOOXFPGOSA-N
MW1027.74 g/mol
LogP14.66
Rot. Bonds20

About tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol

tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol (PubChem CID 160576969) has the molecular formula C56H110O10Si3 and a molecular weight of 1027.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol
PubChem CID160576969
Molecular FormulaC56H110O10Si3
Molecular Weight1027.74 g/mol
Exact Mass1026.74
IUPAC Nametert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol
SMILESC=CC[C@@H]1CCC(O)C(OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.C=CC[C@@H]1CCC(O)[C@](OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.C=CC[C@@H]1CCC=C(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/2C19H38O4Si.C18H34O2Si/c2*1-10-11-15-12-13-16(20)19(21-7,23-15)18(5,6)14-22-24(8,9)17(2,3)4;1-9-11-15-12-10-13-16(20-15)18(5,6)14-19-21(7,8)17(2,3)4/h2*10,15-16,20H,1,11-14H2,2-9H3;9,13,15H,1,10-12,14H2,2-8H3/t15-,16?,19?;15-,16?,19-;15-/m111/s1
InChIKeyRBGVQUCSLITZLE-OOOXFPGOSA-N
XLogP14.66
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.74
LogP ≤ 514.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol with MolForge

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Related Compounds

[(2S,3S,6R)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-4-(2-methoxy-2-oxoethylidene)-6-prop-2-enyloxan-3-yl] octanoate
CID 91061965
tert-butyl-dimethyl-[[(2R,5R)-5-prop-2-enyloxolan-2-yl]methoxy]silane
CID 71665104
[(2S,3S,4E,6R)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-4-(2-methoxy-2-oxoethylidene)-6-prop-2-enyloxan-3-yl] octanoate;methyl (2E)-2-[(2S,6R)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-3-oxo-6-prop-2-enyloxan-4-ylidene]acetate
CID 161016893
CID 59116790
CID 59116790
[(2S,3S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-dihydroxybutyl]-2-methoxy-4-(2-methoxy-2-oxoethylidene)oxan-3-yl] propanoate
CID 91095615
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
tert-butyl-dimethyl-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxysilane
CID 91574746
tert-butyl-dimethyl-[2-(3-pent-4-enyloxiran-2-yl)prop-2-enoxy]silane
CID 10517052
tert-butyl-[2-[(2R,3R,6S)-3-(2-methoxyethoxymethoxy)-6-prop-2-enyloxan-2-yl]ethoxy]-dimethylsilane
CID 46894694
(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol
CID 57385207
tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 10404268
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolan-2-ol
CID 102285704

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol (CID 160576969) is tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol is C=CC[C@@H]1CCC(O)C(OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.C=CC[C@@H]1CCC(O)[C@](OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.C=CC[C@@H]1CCC=C(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol?
The InChIKey is RBGVQUCSLITZLE-OOOXFPGOSA-N. The full InChI is InChI=1S/2C19H38O4Si.C18H34O2Si/c2*1-10-11-15-12-13-16(20)19(21-7,23-15)18(5,6)14-22-24(8,9)17(2,3)4;1-9-11-15-12-10-13-16(20-15)18(5,6)14-19-21(7,8)17(2,3)4/h2*10,15-16,20H,1,11-14H2,2-9H3;9,13,15H,1,10-12,14H2,2-8H3/t15-,16?,19?;15-,16?,19-;15-/m111/s1.
What are the key properties of tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol?
tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol has a molecular weight of 1027.74 g/mol, XLogP of 14.66, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-2-[(2S)-2-prop-2-enyl-3,4-dihydro-2H-pyran-6-yl]propoxy]silane;(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol;(6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-ol is sourced from PubChem (CID 160576969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).