[(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane

C37H76O4Si3 — CID 90365469

IUPAC[(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC#C[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C
InChIInChI=1S/C37H76O4Si3/c1-21-22-34-33(20)36(40-43(27(8)9,28(10)11)29(12)13)37(41-44(30(14)15,31(16)17)32(18)19)35(39-34)23-38-42(24(2)3,25(4)5)26(6)7/h24-37H,23H2,1-20H3/t33-,34-,35-,36-,37-/m1/s1
InChIKeyJUGGAFIIYUOHCS-LQHPVFTQSA-N
MW669.27 g/mol
LogP11.73
Rot. Bonds16

About [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane

[(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 90365469) has the molecular formula C37H76O4Si3 and a molecular weight of 669.27 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID90365469
Molecular FormulaC37H76O4Si3
Molecular Weight669.27 g/mol
Exact Mass668.51
IUPAC Name[(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC#C[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C
InChIInChI=1S/C37H76O4Si3/c1-21-22-34-33(20)36(40-43(27(8)9,28(10)11)29(12)13)37(41-44(30(14)15,31(16)17)32(18)19)35(39-34)23-38-42(24(2)3,25(4)5)26(6)7/h24-37H,23H2,1-20H3/t33-,34-,35-,36-,37-/m1/s1
InChIKeyJUGGAFIIYUOHCS-LQHPVFTQSA-N
XLogP11.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.27
LogP ≤ 511.73
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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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane (CID 90365469) is [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane is CC#C[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C.
What is the InChIKey of [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is JUGGAFIIYUOHCS-LQHPVFTQSA-N. The full InChI is InChI=1S/C37H76O4Si3/c1-21-22-34-33(20)36(40-43(27(8)9,28(10)11)29(12)13)37(41-44(30(14)15,31(16)17)32(18)19)35(39-34)23-38-42(24(2)3,25(4)5)26(6)7/h24-37H,23H2,1-20H3/t33-,34-,35-,36-,37-/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane?
[(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 669.27 g/mol, XLogP of 11.73, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6S)-5-methyl-6-prop-1-ynyl-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 90365469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).