(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol

C16H26O2Si — CID 15856891

IUPAC(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol
SMILESC[Si](C)(C)C[C@@H]1C[C@H](O)[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C16H26O2Si/c1-19(2,3)12-15-10-16(17)14(11-18-15)9-13-7-5-4-6-8-13/h4-8,14-17H,9-12H2,1-3H3/t14-,15-,16-/m0/s1
InChIKeyMCFCPXAOKXSHQL-JYJNAYRXSA-N
MW278.47 g/mol
LogP3.33
Rot. Bonds4

About (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol

(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol (PubChem CID 15856891) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol.

Molecular Properties

Compound Name(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol
PubChem CID15856891
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol
SMILESC[Si](C)(C)C[C@@H]1C[C@H](O)[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C16H26O2Si/c1-19(2,3)12-15-10-16(17)14(11-18-15)9-13-7-5-4-6-8-13/h4-8,14-17H,9-12H2,1-3H3/t14-,15-,16-/m0/s1
InChIKeyMCFCPXAOKXSHQL-JYJNAYRXSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
4-benzyloxolan-3-ol
CID 14785279
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
CID 166640244
(1S,5R)-3-benzyl-6,8-dioxabicyclo[3.2.1]octan-4-ol;fluoromethane
CID 142549107
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
(2-benzylcyclopropyl)methanamine
CID 56605942
potassium [(1S,2S)-2-benzylcyclopropyl]-trifluoroboranuide
CID 23711838
potassium [(1R,2S)-2-benzylcyclopropyl]-trifluoroboranuide
CID 157032718
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
5-benzyl-4-methyl-1,3-dioxane
CID 12704146
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol?
The IUPAC name of (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol (CID 15856891) is (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol.
What is the SMILES notation for (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol?
The canonical SMILES for (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol is C[Si](C)(C)C[C@@H]1C[C@H](O)[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol?
The InChIKey is MCFCPXAOKXSHQL-JYJNAYRXSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-19(2,3)12-15-10-16(17)14(11-18-15)9-13-7-5-4-6-8-13/h4-8,14-17H,9-12H2,1-3H3/t14-,15-,16-/m0/s1.
What are the key properties of (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol?
(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol has a molecular weight of 278.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol is sourced from PubChem (CID 15856891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).