(2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol

C9H18O4 — CID 130742186

IUPAC(2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol
SMILESCC1(C)COC([C@](C)(O)CO)OC1
InChIInChI=1S/C9H18O4/c1-8(2)5-12-7(13-6-8)9(3,11)4-10/h7,10-11H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyWPYRNKLETVAMLT-SECBINFHSA-N
MW190.24 g/mol
LogP0.13
Rot. Bonds2

About (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol

(2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol (PubChem CID 130742186) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol
PubChem CID130742186
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol
SMILESCC1(C)COC([C@](C)(O)CO)OC1
InChIInChI=1S/C9H18O4/c1-8(2)5-12-7(13-6-8)9(3,11)4-10/h7,10-11H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyWPYRNKLETVAMLT-SECBINFHSA-N
XLogP0.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-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 (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol?
The IUPAC name of (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol (CID 130742186) is (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol.
What is the SMILES notation for (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol?
The canonical SMILES for (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol is CC1(C)COC([C@](C)(O)CO)OC1.
What is the InChIKey of (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol?
The InChIKey is WPYRNKLETVAMLT-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O4/c1-8(2)5-12-7(13-6-8)9(3,11)4-10/h7,10-11H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol?
(2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol has a molecular weight of 190.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol is sourced from PubChem (CID 130742186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).