(3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol

C13H24O3 — CID 102209064

IUPAC(3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol
SMILESC[C@@H]1[C@@H](O)[C@@H](C)C(O)O[C@H]1C1CCCCC1
InChIInChI=1S/C13H24O3/c1-8-11(14)9(2)13(15)16-12(8)10-6-4-3-5-7-10/h8-15H,3-7H2,1-2H3/t8-,9-,11-,12-,13?/m1/s1
InChIKeySVIDNCVMJOVHCI-VVFFDKNKSA-N
MW228.33 g/mol
LogP1.92
Rot. Bonds1

About (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol

(3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol (PubChem CID 102209064) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol.

Molecular Properties

Compound Name(3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol
PubChem CID102209064
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol
SMILESC[C@@H]1[C@@H](O)[C@@H](C)C(O)O[C@H]1C1CCCCC1
InChIInChI=1S/C13H24O3/c1-8-11(14)9(2)13(15)16-12(8)10-6-4-3-5-7-10/h8-15H,3-7H2,1-2H3/t8-,9-,11-,12-,13?/m1/s1
InChIKeySVIDNCVMJOVHCI-VVFFDKNKSA-N
XLogP1.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol?
The IUPAC name of (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol (CID 102209064) is (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol.
What is the SMILES notation for (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol?
The canonical SMILES for (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol is C[C@@H]1[C@@H](O)[C@@H](C)C(O)O[C@H]1C1CCCCC1.
What is the InChIKey of (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol?
The InChIKey is SVIDNCVMJOVHCI-VVFFDKNKSA-N. The full InChI is InChI=1S/C13H24O3/c1-8-11(14)9(2)13(15)16-12(8)10-6-4-3-5-7-10/h8-15H,3-7H2,1-2H3/t8-,9-,11-,12-,13?/m1/s1.
What are the key properties of (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol?
(3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol has a molecular weight of 228.33 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6S)-6-cyclohexyl-3,5-dimethyloxane-2,4-diol is sourced from PubChem (CID 102209064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).