(2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol

C9H20O6Si — CID 142725701

IUPAC(2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol
SMILESCO[Si](OC)(OC)C1O[C@H](C)[C@@H](O)C[C@H]1O
InChIInChI=1S/C9H20O6Si/c1-6-7(10)5-8(11)9(15-6)16(12-2,13-3)14-4/h6-11H,5H2,1-4H3/t6-,7+,8-,9?/m1/s1
InChIKeyIMVLBTSXQYLWDY-OBCZXFEGSA-N
MW252.34 g/mol
LogP-0.70
Rot. Bonds4

About (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol

(2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol (PubChem CID 142725701) has the molecular formula C9H20O6Si and a molecular weight of 252.34 g/mol. Its IUPAC name is (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol
PubChem CID142725701
Molecular FormulaC9H20O6Si
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name(2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol
SMILESCO[Si](OC)(OC)C1O[C@H](C)[C@@H](O)C[C@H]1O
InChIInChI=1S/C9H20O6Si/c1-6-7(10)5-8(11)9(15-6)16(12-2,13-3)14-4/h6-11H,5H2,1-4H3/t6-,7+,8-,9?/m1/s1
InChIKeyIMVLBTSXQYLWDY-OBCZXFEGSA-N
XLogP-0.70
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267
(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol
CID 130917816
(3R,6S)-2-methyl-6-methyliodanuidyloxane-3,5-diol
CID 163453977
(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
CID 164829805
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
(2S,3S,5R,6S)-3,5-dihydroxy-6-methyloxane-2-carboxylic acid
CID 167291493
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(3R)-3-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutanoic acid
CID 122544007
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol
CID 21158721
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol?
The IUPAC name of (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol (CID 142725701) is (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol.
What is the SMILES notation for (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol?
The canonical SMILES for (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol is CO[Si](OC)(OC)C1O[C@H](C)[C@@H](O)C[C@H]1O.
What is the InChIKey of (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol?
The InChIKey is IMVLBTSXQYLWDY-OBCZXFEGSA-N. The full InChI is InChI=1S/C9H20O6Si/c1-6-7(10)5-8(11)9(15-6)16(12-2,13-3)14-4/h6-11H,5H2,1-4H3/t6-,7+,8-,9?/m1/s1.
What are the key properties of (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol?
(2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol has a molecular weight of 252.34 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-methyl-6-trimethoxysilyloxane-3,5-diol is sourced from PubChem (CID 142725701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).