[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate

C32H70O7Si4 — CID 66560143

IUPAC[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C32H70O7Si4/c1-14-15-16-17-18-19-20-21-22-23-24-25-28(33)34-26-27-29(36-40(2,3)4)30(37-41(5,6)7)31(38-42(8,9)10)32(35-27)39-43(11,12)13/h27,29-32H,14-26H2,1-13H3/t27-,29-,30+,31-,32-/m1/s1
InChIKeyCTYCPTIGIMYHJD-KBNMYVHASA-N
MW679.25 g/mol
LogP9.47
Rot. Bonds22

About [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate

[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate (PubChem CID 66560143) has the molecular formula C32H70O7Si4 and a molecular weight of 679.25 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate
PubChem CID66560143
Molecular FormulaC32H70O7Si4
Molecular Weight679.25 g/mol
Exact Mass678.42
IUPAC Name[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C32H70O7Si4/c1-14-15-16-17-18-19-20-21-22-23-24-25-28(33)34-26-27-29(36-40(2,3)4)30(37-41(5,6)7)31(38-42(8,9)10)32(35-27)39-43(11,12)13/h27,29-32H,14-26H2,1-13H3/t27-,29-,30+,31-,32-/m1/s1
InChIKeyCTYCPTIGIMYHJD-KBNMYVHASA-N
XLogP9.47
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.25
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate?
The IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate (CID 66560143) is [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate is CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate?
The InChIKey is CTYCPTIGIMYHJD-KBNMYVHASA-N. The full InChI is InChI=1S/C32H70O7Si4/c1-14-15-16-17-18-19-20-21-22-23-24-25-28(33)34-26-27-29(36-40(2,3)4)30(37-41(5,6)7)31(38-42(8,9)10)32(35-27)39-43(11,12)13/h27,29-32H,14-26H2,1-13H3/t27-,29-,30+,31-,32-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate?
[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate has a molecular weight of 679.25 g/mol, XLogP of 9.47, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methyl tetradecanoate is sourced from PubChem (CID 66560143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).