diethyl decanedioate;propanedioic acid

C17H30O8 — CID 174518023

IUPACdiethyl decanedioate;propanedioic acid
SMILESCCOC(=O)CCCCCCCCC(=O)OCC.O=C(O)CC(=O)O
InChIInChI=1S/C14H26O4.C3H4O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2;4-2(5)1-3(6)7/h3-12H2,1-2H3;1H2,(H,4,5)(H,6,7)
InChIKeyJZPDHCPTAAISKO-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.78
Rot. Bonds13

About diethyl decanedioate;propanedioic acid

diethyl decanedioate;propanedioic acid (PubChem CID 174518023) has the molecular formula C17H30O8 and a molecular weight of 362.42 g/mol. Its IUPAC name is diethyl decanedioate;propanedioic acid.

Molecular Properties

Compound Namediethyl decanedioate;propanedioic acid
PubChem CID174518023
Molecular FormulaC17H30O8
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Namediethyl decanedioate;propanedioic acid
SMILESCCOC(=O)CCCCCCCCC(=O)OCC.O=C(O)CC(=O)O
InChIInChI=1S/C14H26O4.C3H4O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2;4-2(5)1-3(6)7/h3-12H2,1-2H3;1H2,(H,4,5)(H,6,7)
InChIKeyJZPDHCPTAAISKO-UHFFFAOYSA-N
XLogP2.78
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl octanoate;octanoic acid
CID 18625122
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
pentakis(ethyl octanoate);hexane
CID 173194775
9-(3-ethoxy-3-oxopropoxy)-9-oxononanoic acid
CID 152519011

Frequently Asked Questions

What is the IUPAC name of diethyl decanedioate;propanedioic acid?
The IUPAC name of diethyl decanedioate;propanedioic acid (CID 174518023) is diethyl decanedioate;propanedioic acid.
What is the SMILES notation for diethyl decanedioate;propanedioic acid?
The canonical SMILES for diethyl decanedioate;propanedioic acid is CCOC(=O)CCCCCCCCC(=O)OCC.O=C(O)CC(=O)O.
What is the InChIKey of diethyl decanedioate;propanedioic acid?
The InChIKey is JZPDHCPTAAISKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.C3H4O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2;4-2(5)1-3(6)7/h3-12H2,1-2H3;1H2,(H,4,5)(H,6,7).
What are the key properties of diethyl decanedioate;propanedioic acid?
diethyl decanedioate;propanedioic acid has a molecular weight of 362.42 g/mol, XLogP of 2.78, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl decanedioate;propanedioic acid is sourced from PubChem (CID 174518023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).