sodium;diethyl decanedioate;hydride

C14H27NaO4 — CID 173076435

IUPACsodium;diethyl decanedioate;hydride
SMILESCCOC(=O)CCCCCCCCC(=O)OCC.[H-].[Na+]
InChIInChI=1S/C14H26O4.Na.H/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2;;/h3-12H2,1-2H3;;/q;+1;-1
InChIKeyLITWFYBAZBAMHV-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.35
Rot. Bonds11

About sodium;diethyl decanedioate;hydride

sodium;diethyl decanedioate;hydride (PubChem CID 173076435) has the molecular formula C14H27NaO4 and a molecular weight of 282.36 g/mol. Its IUPAC name is sodium;diethyl decanedioate;hydride.

Molecular Properties

Compound Namesodium;diethyl decanedioate;hydride
PubChem CID173076435
Molecular FormulaC14H27NaO4
Molecular Weight282.36 g/mol
Exact Mass282.18
IUPAC Namesodium;diethyl decanedioate;hydride
SMILESCCOC(=O)CCCCCCCCC(=O)OCC.[H-].[Na+]
InChIInChI=1S/C14H26O4.Na.H/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2;;/h3-12H2,1-2H3;;/q;+1;-1
InChIKeyLITWFYBAZBAMHV-UHFFFAOYSA-N
XLogP0.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl icosanedioate
CID 5058538
sodium;ethyl octadecanoate;hydride
CID 174731148
diethyl hexanedioate
CID 160747628
ethyl undecanoate
CID 12327
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl decanoate;methanol
CID 161391102
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
diethyl decanedioate;propanedioic acid
CID 174518023
ethyl 16-aminohexadecanoate;hydrobromide
CID 173405590

Frequently Asked Questions

What is the IUPAC name of sodium;diethyl decanedioate;hydride?
The IUPAC name of sodium;diethyl decanedioate;hydride (CID 173076435) is sodium;diethyl decanedioate;hydride.
What is the SMILES notation for sodium;diethyl decanedioate;hydride?
The canonical SMILES for sodium;diethyl decanedioate;hydride is CCOC(=O)CCCCCCCCC(=O)OCC.[H-].[Na+].
What is the InChIKey of sodium;diethyl decanedioate;hydride?
The InChIKey is LITWFYBAZBAMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.Na.H/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2;;/h3-12H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;diethyl decanedioate;hydride?
sodium;diethyl decanedioate;hydride has a molecular weight of 282.36 g/mol, XLogP of 0.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diethyl decanedioate;hydride is sourced from PubChem (CID 173076435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).