4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one

C10H22O6 — CID 87707653

IUPAC4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
SMILESCC(=O)CC(O)CO.CC(C)=O.OCCO
InChIInChI=1S/C5H10O3.C3H6O.C2H6O2/c1-4(7)2-5(8)3-6;1-3(2)4;3-1-2-4/h5-6,8H,2-3H2,1H3;1-2H3;3-4H,1-2H2
InChIKeyRQODWQPUKQVVEQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP-1.12
Rot. Bonds4

About 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one

4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one (PubChem CID 87707653) has the molecular formula C10H22O6 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one.

Molecular Properties

Compound Name4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
PubChem CID87707653
Molecular FormulaC10H22O6
Molecular Weight238.28 g/mol
Exact Mass238.14
IUPAC Name4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
SMILESCC(=O)CC(O)CO.CC(C)=O.OCCO
InChIInChI=1S/C5H10O3.C3H6O.C2H6O2/c1-4(7)2-5(8)3-6;1-3(2)4;3-1-2-4/h5-6,8H,2-3H2,1H3;1-2H3;3-4H,1-2H2
InChIKeyRQODWQPUKQVVEQ-UHFFFAOYSA-N
XLogP-1.12
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 129307519
bis(ethane-1,2-diol);bis(propan-2-one)
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(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one
CID 158804070
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
potassium;propane-1,2,3-triol;acetate
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CID 160542041

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one?
The IUPAC name of 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one (CID 87707653) is 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one.
What is the SMILES notation for 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one?
The canonical SMILES for 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one is CC(=O)CC(O)CO.CC(C)=O.OCCO.
What is the InChIKey of 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one?
The InChIKey is RQODWQPUKQVVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H6O.C2H6O2/c1-4(7)2-5(8)3-6;1-3(2)4;3-1-2-4/h5-6,8H,2-3H2,1H3;1-2H3;3-4H,1-2H2.
What are the key properties of 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one?
4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one has a molecular weight of 238.28 g/mol, XLogP of -1.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one is sourced from PubChem (CID 87707653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).