2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol

C16H24O6 — CID 163028520

IUPAC2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCC#CC#CCCCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C16H24O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-3,8-11H2,1H3
InChIKeyRYBYAHGLHFUNIV-UHFFFAOYSA-N
MW312.36 g/mol
LogP-0.61
Rot. Bonds6

About 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol

2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 163028520) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID163028520
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCCC#CC#CCCCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C16H24O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-3,8-11H2,1H3
InChIKeyRYBYAHGLHFUNIV-UHFFFAOYSA-N
XLogP-0.61
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol 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 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 163028520) is 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCCC#CC#CCCCOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is RYBYAHGLHFUNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-3,8-11H2,1H3.
What are the key properties of 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol?
2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 312.36 g/mol, XLogP of -0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deca-4,6-diynoxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 163028520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).