5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol

C12H20O10 — CID 72781233

IUPAC5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol
SMILESOC1COC2(COC3(CO2)OCC(O)C(O)C3O)C(O)C1O
InChIInChI=1S/C12H20O10/c13-5-1-19-11(9(17)7(5)15)3-22-12(4-21-11)10(18)8(16)6(14)2-20-12/h5-10,13-18H,1-4H2
InChIKeyLTUQKHKMVTWQIX-UHFFFAOYSA-N
MW324.28 g/mol
LogP-4.35
Rot. Bonds

About 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol

5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol (PubChem CID 72781233) has the molecular formula C12H20O10 and a molecular weight of 324.28 g/mol. Its IUPAC name is 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol.

Molecular Properties

Compound Name5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol
PubChem CID72781233
Molecular FormulaC12H20O10
Molecular Weight324.28 g/mol
Exact Mass324.11
IUPAC Name5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol
SMILESOC1COC2(COC3(CO2)OCC(O)C(O)C3O)C(O)C1O
InChIInChI=1S/C12H20O10/c13-5-1-19-11(9(17)7(5)15)3-22-12(4-21-11)10(18)8(16)6(14)2-20-12/h5-10,13-18H,1-4H2
InChIKeyLTUQKHKMVTWQIX-UHFFFAOYSA-N
XLogP-4.35
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.28
LogP ≤ 5-4.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol with MolForge

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

Launch Full Analysis

Related Compounds

CID 157355
CID 157355
CID 25147451
CID 25147451
CID 7427
CID 7427
CID 6134
CID 6134
CID 440995
CID 440995
CID 493591
CID 493591
CID 439186
CID 439186
CID 84571
CID 84571
CID 3034828
CID 3034828
CID 439341
CID 439341
CID 62698
CID 62698
CID 439178
CID 439178

Frequently Asked Questions

What is the IUPAC name of 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol?
The IUPAC name of 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol (CID 72781233) is 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol.
What is the SMILES notation for 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol?
The canonical SMILES for 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol is OC1COC2(COC3(CO2)OCC(O)C(O)C3O)C(O)C1O.
What is the InChIKey of 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol?
The InChIKey is LTUQKHKMVTWQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O10/c13-5-1-19-11(9(17)7(5)15)3-22-12(4-21-11)10(18)8(16)6(14)2-20-12/h5-10,13-18H,1-4H2.
What are the key properties of 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol?
5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol has a molecular weight of 324.28 g/mol, XLogP of -4.35, 0 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane-1,2,3,10,11,12-hexol is sourced from PubChem (CID 72781233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).