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

C8H12O6 — CID 156716160

IUPAC2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione
SMILESCCCCC(O)C1(O)OC(=O)C(=O)O1
InChIInChI=1S/C8H12O6/c1-2-3-4-5(9)8(12)13-6(10)7(11)14-8/h5,9,12H,2-4H2,1H3
InChIKeyYSZXSXMXGZTMNA-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.72
Rot. Bonds4

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

2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione (PubChem CID 156716160) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione.

Molecular Properties

Compound Name2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione
PubChem CID156716160
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione
SMILESCCCCC(O)C1(O)OC(=O)C(=O)O1
InChIInChI=1S/C8H12O6/c1-2-3-4-5(9)8(12)13-6(10)7(11)14-8/h5,9,12H,2-4H2,1H3
InChIKeyYSZXSXMXGZTMNA-UHFFFAOYSA-N
XLogP-0.72
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

2-butyl-2-hydroxy-1,3-dioxolane-4,5-dione
CID 139899991
trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol
CID 131230361
(4R)-2,3-diethyl-4-hydroxy-4-[(1S)-1-hydroxyheptyl]cyclopent-2-en-1-one
CID 71507137
2-hydroxy-2-[(1S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-dioxolane-4,5-dione
CID 154724110
2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile
CID 79133045
(5S)-4-butyl-5-hydroxy-3-methoxy-5-methylfuran-2-one
CID 163083636
1-(1,3,4-trimethylcyclohex-3-en-1-yl)pentan-1-ol
CID 118389071
4-hydroxy-4-pentyl-1,3-dioxetan-2-one
CID 142638506
(1R,4R,5R)-1-(1-hydroxydodecyl)-4-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 101040022
6-[(2S)-2-hydroxyhexyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10421304
1-(4-phenyloxan-4-yl)pentan-1-ol
CID 63083062
(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
CID 11041373

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione?
The IUPAC name of 2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione (CID 156716160) is 2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione.
What is the SMILES notation for 2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione?
The canonical SMILES for 2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione is CCCCC(O)C1(O)OC(=O)C(=O)O1.
What is the InChIKey of 2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione?
The InChIKey is YSZXSXMXGZTMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6/c1-2-3-4-5(9)8(12)13-6(10)7(11)14-8/h5,9,12H,2-4H2,1H3.
What are the key properties of 2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione?
2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione has a molecular weight of 204.18 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-hydroxypentyl)-1,3-dioxolane-4,5-dione is sourced from PubChem (CID 156716160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).