1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one

C10H18O5 — CID 158830330

IUPAC1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one
SMILESO=C(CO)CCCOCCCC(=O)CO
InChIInChI=1S/C10H18O5/c11-7-9(13)3-1-5-15-6-2-4-10(14)8-12/h11-12H,1-8H2
InChIKeyYSLMJCAPKOBPCX-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.31
Rot. Bonds10

About 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one

1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one (PubChem CID 158830330) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one.

Molecular Properties

Compound Name1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one
PubChem CID158830330
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one
SMILESO=C(CO)CCCOCCCC(=O)CO
InChIInChI=1S/C10H18O5/c11-7-9(13)3-1-5-15-6-2-4-10(14)8-12/h11-12H,1-8H2
InChIKeyYSLMJCAPKOBPCX-UHFFFAOYSA-N
XLogP-0.31
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropyl 4-[4-(3-hydroxypropoxy)-4-oxobutoxy]butanoate
CID 158830331
21-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-18-oxohenicosanoic acid
CID 58249220
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
6-(2-aminoethoxy)hexan-3-one
CID 158645779
1-propoxyhenicosan-4-one
CID 157232243
4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 178004606
4-[2-(4-chloro-4-oxobutoxy)ethoxy]butanoyl chloride
CID 163842692
1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574
1-bromo-7-[2-(2-butoxyethoxy)ethoxy]heptan-4-one
CID 106798945
1-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-7-sulfanyloctan-4-one
CID 159232604
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one?
The IUPAC name of 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one (CID 158830330) is 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one.
What is the SMILES notation for 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one?
The canonical SMILES for 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one is O=C(CO)CCCOCCCC(=O)CO.
What is the InChIKey of 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one?
The InChIKey is YSLMJCAPKOBPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c11-7-9(13)3-1-5-15-6-2-4-10(14)8-12/h11-12H,1-8H2.
What are the key properties of 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one?
1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one has a molecular weight of 218.25 g/mol, XLogP of -0.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one is sourced from PubChem (CID 158830330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).