bis(1,3-dioxolane);hydrate

C6H14O5 — CID 18551938

IUPACbis(1,3-dioxolane);hydrate
SMILESC1COCO1.C1COCO1.O
InChIInChI=1S/2C3H6O2.H2O/c2*1-2-5-3-4-1;/h2*1-3H2;1H2
InChIKeyUIOYAXULLPQMEW-UHFFFAOYSA-N
MW166.17 g/mol
LogP-0.84
Rot. Bonds

About bis(1,3-dioxolane);hydrate

bis(1,3-dioxolane);hydrate (PubChem CID 18551938) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is bis(1,3-dioxolane);hydrate.

Molecular Properties

Compound Namebis(1,3-dioxolane);hydrate
PubChem CID18551938
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Namebis(1,3-dioxolane);hydrate
SMILESC1COCO1.C1COCO1.O
InChIInChI=1S/2C3H6O2.H2O/c2*1-2-5-3-4-1;/h2*1-3H2;1H2
InChIKeyUIOYAXULLPQMEW-UHFFFAOYSA-N
XLogP-0.84
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(1,3-dioxolane);hydrate 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 bis(1,3-dioxolane);hydrate?
The IUPAC name of bis(1,3-dioxolane);hydrate (CID 18551938) is bis(1,3-dioxolane);hydrate.
What is the SMILES notation for bis(1,3-dioxolane);hydrate?
The canonical SMILES for bis(1,3-dioxolane);hydrate is C1COCO1.C1COCO1.O.
What is the InChIKey of bis(1,3-dioxolane);hydrate?
The InChIKey is UIOYAXULLPQMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.H2O/c2*1-2-5-3-4-1;/h2*1-3H2;1H2.
What are the key properties of bis(1,3-dioxolane);hydrate?
bis(1,3-dioxolane);hydrate has a molecular weight of 166.17 g/mol, XLogP of -0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dioxolane);hydrate is sourced from PubChem (CID 18551938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).