5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate

C15H26O6 — CID 91708313

IUPAC5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate
SMILESCCCOC(=O)CCCC(=O)OCC1(CC)COCOC1
InChIInChI=1S/C15H26O6/c1-3-8-20-13(16)6-5-7-14(17)21-11-15(4-2)9-18-12-19-10-15/h3-12H2,1-2H3
InChIKeyZAIDEDAMBHPGON-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.05
Rot. Bonds9

About 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate

5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate (PubChem CID 91708313) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate.

Molecular Properties

Compound Name5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate
PubChem CID91708313
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate
SMILESCCCOC(=O)CCCC(=O)OCC1(CC)COCOC1
InChIInChI=1S/C15H26O6/c1-3-8-20-13(16)6-5-7-14(17)21-11-15(4-2)9-18-12-19-10-15/h3-12H2,1-2H3
InChIKeyZAIDEDAMBHPGON-UHFFFAOYSA-N
XLogP2.05
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-O-dodecyl 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] pentanedioate
CID 91708141
(5-ethyl-1,3-dioxan-5-yl)methyl pentanoate
CID 130343670
1-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 4-O-(2-methylhexan-3-yl) butanedioate
CID 91701197
1-O-butyl 4-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] benzene-1,4-dicarboxylate
CID 91733742
4-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-heptyl benzene-1,4-dicarboxylate
CID 91738484
bismuthane;propyl pentanoate
CID 174550006
dimethyl pentanedioate;dipropyl butanedioate
CID 174797581
(3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate
CID 155170717
[5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate
CID 110174574
propyl docosanoate
CID 3015299
(3-ethyloxetan-3-yl)methyl N-butylcarbamate
CID 20682757
[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
CID 101298139

Frequently Asked Questions

What is the IUPAC name of 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate?
The IUPAC name of 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate (CID 91708313) is 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate.
What is the SMILES notation for 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate?
The canonical SMILES for 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate is CCCOC(=O)CCCC(=O)OCC1(CC)COCOC1.
What is the InChIKey of 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate?
The InChIKey is ZAIDEDAMBHPGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6/c1-3-8-20-13(16)6-5-7-14(17)21-11-15(4-2)9-18-12-19-10-15/h3-12H2,1-2H3.
What are the key properties of 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate?
5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate has a molecular weight of 302.37 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate is sourced from PubChem (CID 91708313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).