(1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol

C9H18O5Si — CID 88596824

IUPAC(1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol
SMILESC[Si](C)(C)O[C@H]1[C@@H]2O[C@H]2[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C9H18O5Si/c1-15(2,3)14-6-5(4-10)12-9(11)8-7(6)13-8/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9+/m1/s1
InChIKeyHZATWKOSULIZBW-ZEBDFXRSSA-N
MW234.32 g/mol
LogP-0.32
Rot. Bonds3

About (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol

(1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol (PubChem CID 88596824) has the molecular formula C9H18O5Si and a molecular weight of 234.32 g/mol. Its IUPAC name is (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol
PubChem CID88596824
Molecular FormulaC9H18O5Si
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name(1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol
SMILESC[Si](C)(C)O[C@H]1[C@@H]2O[C@H]2[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C9H18O5Si/c1-15(2,3)14-6-5(4-10)12-9(11)8-7(6)13-8/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9+/m1/s1
InChIKeyHZATWKOSULIZBW-ZEBDFXRSSA-N
XLogP-0.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-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

(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol
CID 141076482
[(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol
CID 135021954
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926
[(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol
CID 165180262
ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 143692870
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethoxy]oxane-2,3,4-triol
CID 156616402
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol (CID 88596824) is (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol is C[Si](C)(C)O[C@H]1[C@@H]2O[C@H]2[C@@H](O)O[C@@H]1CO.
What is the InChIKey of (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol?
The InChIKey is HZATWKOSULIZBW-ZEBDFXRSSA-N. The full InChI is InChI=1S/C9H18O5Si/c1-15(2,3)14-6-5(4-10)12-9(11)8-7(6)13-8/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9+/m1/s1.
What are the key properties of (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol?
(1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol has a molecular weight of 234.32 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 88596824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).