4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione

C7H10O5 — CID 91235540

IUPAC4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione
SMILESCCC(O)C1OC(=O)C(=O)C1O
InChIInChI=1S/C7H10O5/c1-2-3(8)6-4(9)5(10)7(11)12-6/h3-4,6,8-9H,2H2,1H3
InChIKeyCRIKOESFJDHIIB-UHFFFAOYSA-N
MW174.15 g/mol
LogP-1.39
Rot. Bonds2

About 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione

4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione (PubChem CID 91235540) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione.

Molecular Properties

Compound Name4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione
PubChem CID91235540
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione
SMILESCCC(O)C1OC(=O)C(=O)C1O
InChIInChI=1S/C7H10O5/c1-2-3(8)6-4(9)5(10)7(11)12-6/h3-4,6,8-9H,2H2,1H3
InChIKeyCRIKOESFJDHIIB-UHFFFAOYSA-N
XLogP-1.39
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-2-(3-hydroxy-4,5-dioxooxolan-2-yl)ethyl] hexadecanoate
CID 146677340
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] propanoate
CID 54208151
4,5-dihydroxy-6-methyloxane-2,3-dione
CID 123619824
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-silyloxyoxolane-2,3-dione
CID 123360045
(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol
CID 138717575
5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 123865037
2-(1-hydroxypropyl)oxolan-3-ol
CID 20736976
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(1,3-dihydroxy-3-methylpentoxy)oxolane-2,3-dione
CID 90799333
(2R)-4-ethyl-2-hydroxy-2H-furan-5-one
CID 124583750
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] hydrogen phosphate
CID 54319109
(3S,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
CID 6572236
(4S,5R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one
CID 24802183

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione?
The IUPAC name of 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione (CID 91235540) is 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione.
What is the SMILES notation for 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione?
The canonical SMILES for 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione is CCC(O)C1OC(=O)C(=O)C1O.
What is the InChIKey of 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione?
The InChIKey is CRIKOESFJDHIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-2-3(8)6-4(9)5(10)7(11)12-6/h3-4,6,8-9H,2H2,1H3.
What are the key properties of 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione?
4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione has a molecular weight of 174.15 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione is sourced from PubChem (CID 91235540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).