5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate

C14H22O10 — CID 58807583

IUPAC5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate
SMILESCC(OC(=O)CCCC(=O)OCCO)C(=O)OCC(=O)OCCO
InChIInChI=1S/C14H22O10/c1-10(14(20)23-9-13(19)22-8-6-16)24-12(18)4-2-3-11(17)21-7-5-15/h10,15-16H,2-9H2,1H3
InChIKeyLTAUJZKWRVRNSZ-UHFFFAOYSA-N
MW350.32 g/mol
LogP-1.30
Rot. Bonds12

About 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate

5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate (PubChem CID 58807583) has the molecular formula C14H22O10 and a molecular weight of 350.32 g/mol. Its IUPAC name is 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate.

Molecular Properties

Compound Name5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate
PubChem CID58807583
Molecular FormulaC14H22O10
Molecular Weight350.32 g/mol
Exact Mass350.12
IUPAC Name5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate
SMILESCC(OC(=O)CCCC(=O)OCCO)C(=O)OCC(=O)OCCO
InChIInChI=1S/C14H22O10/c1-10(14(20)23-9-13(19)22-8-6-16)24-12(18)4-2-3-11(17)21-7-5-15/h10,15-16H,2-9H2,1H3
InChIKeyLTAUJZKWRVRNSZ-UHFFFAOYSA-N
XLogP-1.30
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

bis[1-(2-hydroxyethoxy)-1-oxopropan-2-yl] butanedioate
CID 162489298
bis(1-oxo-1-propan-2-yloxypropan-2-yl) pentanedioate
CID 162038797
4-[2-[1-(3-hydroxypropoxy)-1-oxopropan-2-yl]oxy-2-oxoethoxy]-4-oxobutanoic acid
CID 58041440
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate
CID 151067581
(1-butoxy-1-oxopropan-2-yl) tetradecanoate
CID 91553783
1-O-(2-fluoroethyl) 5-O-(3-methylbutan-2-yl) pentanedioate
CID 91723682
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
4-O-[1-[1-[2-[2-[4-(2-hydroxyethoxy)-4-oxobutanoyl]oxypropoxycarbonyloxy]propoxy]propan-2-yloxycarbonyloxy]propan-2-yl] 1-O-(2-hydroxyethyl) butanedioate
CID 126492818
bis(3-oxobutan-2-yl) decanedioate
CID 91738909
bis(bis(2-hydroxyethyl) butanedioate);pentanedioic acid
CID 175038974

Frequently Asked Questions

What is the IUPAC name of 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate?
The IUPAC name of 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate (CID 58807583) is 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate.
What is the SMILES notation for 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate?
The canonical SMILES for 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate is CC(OC(=O)CCCC(=O)OCCO)C(=O)OCC(=O)OCCO.
What is the InChIKey of 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate?
The InChIKey is LTAUJZKWRVRNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O10/c1-10(14(20)23-9-13(19)22-8-6-16)24-12(18)4-2-3-11(17)21-7-5-15/h10,15-16H,2-9H2,1H3.
What are the key properties of 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate?
5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate has a molecular weight of 350.32 g/mol, XLogP of -1.30, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate is sourced from PubChem (CID 58807583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).