2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one

C10H18O5 — CID 23301451

IUPAC2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CCC(CO)C1COCC(O)CO
InChIInChI=1S/C10H18O5/c11-3-7-1-2-10(14)9(7)6-15-5-8(13)4-12/h7-9,11-13H,1-6H2
InChIKeyBGGHKZIJXUVERK-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.06
Rot. Bonds6

About 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one

2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one (PubChem CID 23301451) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one
PubChem CID23301451
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CCC(CO)C1COCC(O)CO
InChIInChI=1S/C10H18O5/c11-3-7-1-2-10(14)9(7)6-15-5-8(13)4-12/h7-9,11-13H,1-6H2
InChIKeyBGGHKZIJXUVERK-UHFFFAOYSA-N
XLogP-1.06
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one (CID 23301451) is 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one is O=C1CCC(CO)C1COCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is BGGHKZIJXUVERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c11-3-7-1-2-10(14)9(7)6-15-5-8(13)4-12/h7-9,11-13H,1-6H2.
What are the key properties of 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one?
2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one has a molecular weight of 218.25 g/mol, XLogP of -1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropoxymethyl)-3-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 23301451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).