(3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol

C14H22O3Si — CID 10978413

IUPAC(3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol
SMILESC[C@@H]1C[C@@H](O)[C@@](O)([Si](C)(C)c2ccccc2)CO1
InChIInChI=1S/C14H22O3Si/c1-11-9-13(15)14(16,10-17-11)18(2,3)12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t11-,13-,14+/m1/s1
InChIKeyMYLQBHCXPCPYDZ-BNOWGMLFSA-N
MW266.41 g/mol
LogP1.04
Rot. Bonds2

About (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol

(3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol (PubChem CID 10978413) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol
PubChem CID10978413
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol
SMILESC[C@@H]1C[C@@H](O)[C@@](O)([Si](C)(C)c2ccccc2)CO1
InChIInChI=1S/C14H22O3Si/c1-11-9-13(15)14(16,10-17-11)18(2,3)12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t11-,13-,14+/m1/s1
InChIKeyMYLQBHCXPCPYDZ-BNOWGMLFSA-N
XLogP1.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[dimethyl(phenyl)silyl]bicyclo[1.1.1]pentan-1-ol
CID 154717335
cis-(1S,3R)-3-[dimethyl(phenyl)silyl]cyclopentan-1-ol
CID 10013756
(2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol
CID 118041503
(3R,4S,6R)-4-(benzenesulfonyl)-3-ethyl-6-methyloxan-3-ol
CID 101176021
dimethyl-phenyl-(3-phenyl-1-bicyclo[1.1.1]pentanyl)silane
CID 154717529
(1R,3R)-1-[(2R)-2-[dimethyl(phenyl)silyl]oxiran-2-yl]butane-1,3-diol
CID 10901557
trans-(1R,3R)-3-[dimethyl(phenyl)silyl]-4,4-dimethylcyclohexan-1-ol
CID 71423247
(1S,2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-1,5-dimethylcyclohexane-1,2-diol
CID 11718250
cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
CID 101464653
[(3S,4R,5R,6S)-6-[dimethyl(phenyl)silyl]-5-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate
CID 10427755
1,1'-biphenyl;2-methyloxirane
CID 87315109
(2R,4S)-2-methyl-4-phenyloxolane
CID 101336772

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol?
The IUPAC name of (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol (CID 10978413) is (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol.
What is the SMILES notation for (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol?
The canonical SMILES for (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol is C[C@@H]1C[C@@H](O)[C@@](O)([Si](C)(C)c2ccccc2)CO1.
What is the InChIKey of (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol?
The InChIKey is MYLQBHCXPCPYDZ-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-11-9-13(15)14(16,10-17-11)18(2,3)12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t11-,13-,14+/m1/s1.
What are the key properties of (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol?
(3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol has a molecular weight of 266.41 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6R)-3-[dimethyl(phenyl)silyl]-6-methyloxane-3,4-diol is sourced from PubChem (CID 10978413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).