azane;7-ethyloctadecanedioic acid

C20H44N2O4 — CID 173365453

IUPACazane;7-ethyloctadecanedioic acid
SMILESCCC(CCCCCCCCCCC(=O)O)CCCCCC(=O)O.N.N
InChIInChI=1S/C20H38O4.2H3N/c1-2-18(15-11-9-13-17-20(23)24)14-10-7-5-3-4-6-8-12-16-19(21)22;;/h18H,2-17H2,1H3,(H,21,22)(H,23,24);2*1H3
InChIKeyJYCIOHKMCOEXKB-UHFFFAOYSA-N
MW376.58 g/mol
LogP6.36
Rot. Bonds18

About azane;7-ethyloctadecanedioic acid

azane;7-ethyloctadecanedioic acid (PubChem CID 173365453) has the molecular formula C20H44N2O4 and a molecular weight of 376.58 g/mol. Its IUPAC name is azane;7-ethyloctadecanedioic acid.

Molecular Properties

Compound Nameazane;7-ethyloctadecanedioic acid
PubChem CID173365453
Molecular FormulaC20H44N2O4
Molecular Weight376.58 g/mol
Exact Mass376.33
IUPAC Nameazane;7-ethyloctadecanedioic acid
SMILESCCC(CCCCCCCCCCC(=O)O)CCCCCC(=O)O.N.N
InChIInChI=1S/C20H38O4.2H3N/c1-2-18(15-11-9-13-17-20(23)24)14-10-7-5-3-4-6-8-12-16-19(21)22;;/h18H,2-17H2,1H3,(H,21,22)(H,23,24);2*1H3
InChIKeyJYCIOHKMCOEXKB-UHFFFAOYSA-N
XLogP6.36
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 56.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyldecanedioic acid
CID 54495296
9-ethyloctadecanoic acid
CID 11045212
4-ethylicosanedioic acid;dihydrochloride
CID 89462723
7-ethyldodecanoic acid
CID 5282689
6-ethylnonanoic acid
CID 19689071
9-ethyl-12-methoxy-12-oxododecanoic acid
CID 154345459
23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619
decanedioic acid;bis(2-ethylhexan-1-ol)
CID 161114783
15-ethylnonacosanediamide
CID 141183964
9-ethyloctadec-12-enoic acid
CID 91579793
6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[6-(8-ethyldodecanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoic acid
CID 88882594

Frequently Asked Questions

What is the IUPAC name of azane;7-ethyloctadecanedioic acid?
The IUPAC name of azane;7-ethyloctadecanedioic acid (CID 173365453) is azane;7-ethyloctadecanedioic acid.
What is the SMILES notation for azane;7-ethyloctadecanedioic acid?
The canonical SMILES for azane;7-ethyloctadecanedioic acid is CCC(CCCCCCCCCCC(=O)O)CCCCCC(=O)O.N.N.
What is the InChIKey of azane;7-ethyloctadecanedioic acid?
The InChIKey is JYCIOHKMCOEXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4.2H3N/c1-2-18(15-11-9-13-17-20(23)24)14-10-7-5-3-4-6-8-12-16-19(21)22;;/h18H,2-17H2,1H3,(H,21,22)(H,23,24);2*1H3.
What are the key properties of azane;7-ethyloctadecanedioic acid?
azane;7-ethyloctadecanedioic acid has a molecular weight of 376.58 g/mol, XLogP of 6.36, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;7-ethyloctadecanedioic acid is sourced from PubChem (CID 173365453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).