2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione

C8H12O6 — CID 142473267

IUPAC2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione
SMILESO=C1OC(O)(CCCCCO)OC1=O
InChIInChI=1S/C8H12O6/c9-5-3-1-2-4-8(12)13-6(10)7(11)14-8/h9,12H,1-5H2
InChIKeyABOIEIVWWGWPIQ-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.71
Rot. Bonds5

About 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione

2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione (PubChem CID 142473267) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione.

Molecular Properties

Compound Name2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione
PubChem CID142473267
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione
SMILESO=C1OC(O)(CCCCCO)OC1=O
InChIInChI=1S/C8H12O6/c9-5-3-1-2-4-8(12)13-6(10)7(11)14-8/h9,12H,1-5H2
InChIKeyABOIEIVWWGWPIQ-UHFFFAOYSA-N
XLogP-0.71
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-(4-hydroxybutyl)-1,3-dioxolane-4,5-dione
CID 142473264
2-butyl-2-hydroxy-1,3-dioxolane-4,5-dione
CID 139899991
4-hydroxy-4-pentyl-1,3-dioxetan-2-one
CID 142638506
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
pentadecane-1,15-diol
CID 518994
hexane-1,6-diol;octane-1,8-diol
CID 21202869
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
hexane-1,6-diol;hydroxy(oxo)titanium
CID 22728262
5-(2-hexyl-1,3-benzodioxol-2-yl)pentan-1-ol
CID 46211086

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione?
The IUPAC name of 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione (CID 142473267) is 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione.
What is the SMILES notation for 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione?
The canonical SMILES for 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione is O=C1OC(O)(CCCCCO)OC1=O.
What is the InChIKey of 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione?
The InChIKey is ABOIEIVWWGWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6/c9-5-3-1-2-4-8(12)13-6(10)7(11)14-8/h9,12H,1-5H2.
What are the key properties of 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione?
2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione has a molecular weight of 204.18 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(5-hydroxypentyl)-1,3-dioxolane-4,5-dione is sourced from PubChem (CID 142473267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).