[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

C27H56O4Si3 — CID 134930722

IUPAC[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H56O4Si3/c1-17-18-21-19-22(30-33(13,14)26(5,6)7)24(31-34(15,16)27(8,9)10)23(29-21)20-28-32(11,12)25(2,3)4/h17,19,22-24H,1,18,20H2,2-16H3/t22-,23-,24+/m1/s1
InChIKeyFCGLMUCQPWZVNZ-SMIHKQSGSA-N
MW529.00 g/mol
LogP8.65
Rot. Bonds9

About [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134930722) has the molecular formula C27H56O4Si3 and a molecular weight of 529.00 g/mol. Its IUPAC name is [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134930722
Molecular FormulaC27H56O4Si3
Molecular Weight529.00 g/mol
Exact Mass528.35
IUPAC Name[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H56O4Si3/c1-17-18-21-19-22(30-33(13,14)26(5,6)7)24(31-34(15,16)27(8,9)10)23(29-21)20-28-32(11,12)25(2,3)4/h17,19,22-24H,1,18,20H2,2-16H3/t22-,23-,24+/m1/s1
InChIKeyFCGLMUCQPWZVNZ-SMIHKQSGSA-N
XLogP8.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.00
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
1,5-Anhydro-2-deoxy-3,4,6-tris-O-(triisopropylsilyl)-D-arabino-hex-1-enitol
CID 11181065
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
CID 134940111
triethyl-[[(2R,3R,4R)-3-triethylsilyloxy-2-(triethylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 10863880
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10961214
tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11164225
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 101106917
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930554

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 134930722) is [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is C=CCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is FCGLMUCQPWZVNZ-SMIHKQSGSA-N. The full InChI is InChI=1S/C27H56O4Si3/c1-17-18-21-19-22(30-33(13,14)26(5,6)7)24(31-34(15,16)27(8,9)10)23(29-21)20-28-32(11,12)25(2,3)4/h17,19,22-24H,1,18,20H2,2-16H3/t22-,23-,24+/m1/s1.
What are the key properties of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 529.00 g/mol, XLogP of 8.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134930722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).