1,1,5,5-tetradeuteriopentane-1,5-diol

C5H12O2 — CID 10772940

IUPAC1,1,5,5-tetradeuteriopentane-1,5-diol
SMILES[2H]C([2H])(O)CCCC([2H])([2H])O
InChIInChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2/i4D2,5D2
InChIKeyALQSHHUCVQOPAS-CQOLUAMGSA-N
MW108.17 g/mol
LogP0.14
Rot. Bonds4

About 1,1,5,5-tetradeuteriopentane-1,5-diol

1,1,5,5-tetradeuteriopentane-1,5-diol (PubChem CID 10772940) has the molecular formula C5H12O2 and a molecular weight of 108.17 g/mol. Its IUPAC name is 1,1,5,5-tetradeuteriopentane-1,5-diol.

Molecular Properties

Compound Name1,1,5,5-tetradeuteriopentane-1,5-diol
PubChem CID10772940
Molecular FormulaC5H12O2
Molecular Weight108.17 g/mol
Exact Mass108.11
IUPAC Name1,1,5,5-tetradeuteriopentane-1,5-diol
SMILES[2H]C([2H])(O)CCCC([2H])([2H])O
InChIInChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2/i4D2,5D2
InChIKeyALQSHHUCVQOPAS-CQOLUAMGSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,5,5-tetradeuteriopentane-1,5-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 1,1,5,5-tetradeuteriopentane-1,5-diol?
The IUPAC name of 1,1,5,5-tetradeuteriopentane-1,5-diol (CID 10772940) is 1,1,5,5-tetradeuteriopentane-1,5-diol.
What is the SMILES notation for 1,1,5,5-tetradeuteriopentane-1,5-diol?
The canonical SMILES for 1,1,5,5-tetradeuteriopentane-1,5-diol is [2H]C([2H])(O)CCCC([2H])([2H])O.
What is the InChIKey of 1,1,5,5-tetradeuteriopentane-1,5-diol?
The InChIKey is ALQSHHUCVQOPAS-CQOLUAMGSA-N. The full InChI is InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2/i4D2,5D2.
What are the key properties of 1,1,5,5-tetradeuteriopentane-1,5-diol?
1,1,5,5-tetradeuteriopentane-1,5-diol has a molecular weight of 108.17 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetradeuteriopentane-1,5-diol is sourced from PubChem (CID 10772940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).