(3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol

C14H26O5Si — CID 10662148

IUPAC(3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol
SMILESCOCO[C@@H]1[C@@H](OC)[C@@H](C)COC1(O)C#C[Si](C)(C)C
InChIInChI=1S/C14H26O5Si/c1-11-9-19-14(15,7-8-20(4,5)6)13(12(11)17-3)18-10-16-2/h11-13,15H,9-10H2,1-6H3/t11-,12-,13+,14?/m0/s1
InChIKeyWFBKHWHSMKOPIB-ICIURTGMSA-N
MW302.44 g/mol
LogP1.23
Rot. Bonds4

About (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol

(3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol (PubChem CID 10662148) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol.

Molecular Properties

Compound Name(3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol
PubChem CID10662148
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol
SMILESCOCO[C@@H]1[C@@H](OC)[C@@H](C)COC1(O)C#C[Si](C)(C)C
InChIInChI=1S/C14H26O5Si/c1-11-9-19-14(15,7-8-20(4,5)6)13(12(11)17-3)18-10-16-2/h11-13,15H,9-10H2,1-6H3/t11-,12-,13+,14?/m0/s1
InChIKeyWFBKHWHSMKOPIB-ICIURTGMSA-N
XLogP1.23
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol?
The IUPAC name of (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol (CID 10662148) is (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol.
What is the SMILES notation for (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol?
The canonical SMILES for (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol is COCO[C@@H]1[C@@H](OC)[C@@H](C)COC1(O)C#C[Si](C)(C)C.
What is the InChIKey of (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol?
The InChIKey is WFBKHWHSMKOPIB-ICIURTGMSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-11-9-19-14(15,7-8-20(4,5)6)13(12(11)17-3)18-10-16-2/h11-13,15H,9-10H2,1-6H3/t11-,12-,13+,14?/m0/s1.
What are the key properties of (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol?
(3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol has a molecular weight of 302.44 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol is sourced from PubChem (CID 10662148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).