[(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane

C28H62O7Si4 — CID 153085177

IUPAC[(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane
SMILESCCC1O[C@H](O[C@H]2OC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C2O[Si](C)(C)C)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C28H62O7Si4/c1-17-22-20(3)19(2)21(4)27(30-22)32-28-26(35-39(14,15)16)25(34-38(11,12)13)24(33-37(8,9)10)23(31-28)18-29-36(5,6)7/h19-28H,17-18H2,1-16H3/t19-,20-,21?,22?,23?,24+,25-,26?,27+,28+/m0/s1
InChIKeyVOBKUTWENHPFFF-ZEKXJSDHSA-N
MW623.14 g/mol
LogP7.28
Rot. Bonds12

About [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane

[(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane (PubChem CID 153085177) has the molecular formula C28H62O7Si4 and a molecular weight of 623.14 g/mol. Its IUPAC name is [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane
PubChem CID153085177
Molecular FormulaC28H62O7Si4
Molecular Weight623.14 g/mol
Exact Mass622.36
IUPAC Name[(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane
SMILESCCC1O[C@H](O[C@H]2OC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C2O[Si](C)(C)C)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C28H62O7Si4/c1-17-22-20(3)19(2)21(4)27(30-22)32-28-26(35-39(14,15)16)25(34-38(11,12)13)24(33-37(8,9)10)23(31-28)18-29-36(5,6)7/h19-28H,17-18H2,1-16H3/t19-,20-,21?,22?,23?,24+,25-,26?,27+,28+/m0/s1
InChIKeyVOBKUTWENHPFFF-ZEKXJSDHSA-N
XLogP7.28
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.14
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane (CID 153085177) is [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane is CCC1O[C@H](O[C@H]2OC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C2O[Si](C)(C)C)C(C)[C@@H](C)[C@@H]1C.
What is the InChIKey of [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane?
The InChIKey is VOBKUTWENHPFFF-ZEKXJSDHSA-N. The full InChI is InChI=1S/C28H62O7Si4/c1-17-22-20(3)19(2)21(4)27(30-22)32-28-26(35-39(14,15)16)25(34-38(11,12)13)24(33-37(8,9)10)23(31-28)18-29-36(5,6)7/h19-28H,17-18H2,1-16H3/t19-,20-,21?,22?,23?,24+,25-,26?,27+,28+/m0/s1.
What are the key properties of [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane?
[(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane has a molecular weight of 623.14 g/mol, XLogP of 7.28, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-2-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 153085177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).