6-ethylnonanoic acid

C11H22O2 — CID 19689071

IUPAC6-ethylnonanoic acid
SMILESCCCC(CC)CCCCC(=O)O
InChIInChI=1S/C11H22O2/c1-3-7-10(4-2)8-5-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyFLBSDHPXHXSFRL-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.46
Rot. Bonds8

About 6-ethylnonanoic acid

6-ethylnonanoic acid (PubChem CID 19689071) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 6-ethylnonanoic acid.

Molecular Properties

Compound Name6-ethylnonanoic acid
PubChem CID19689071
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name6-ethylnonanoic acid
SMILESCCCC(CC)CCCCC(=O)O
InChIInChI=1S/C11H22O2/c1-3-7-10(4-2)8-5-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyFLBSDHPXHXSFRL-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
7-ethyldodecanoic acid
CID 5282689
azane;7-ethyloctadecanedioic acid
CID 173365453
4-ethylicosanedioic acid;dihydrochloride
CID 89462723
23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619
decanedioic acid;bis(2-ethylhexan-1-ol)
CID 161114783
9-ethyl-12-methoxy-12-oxododecanoic acid
CID 154345459
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
2-heptylundecan-1-ol;hexadecanoic acid
CID 175092135

Frequently Asked Questions

What is the IUPAC name of 6-ethylnonanoic acid?
The IUPAC name of 6-ethylnonanoic acid (CID 19689071) is 6-ethylnonanoic acid.
What is the SMILES notation for 6-ethylnonanoic acid?
The canonical SMILES for 6-ethylnonanoic acid is CCCC(CC)CCCCC(=O)O.
What is the InChIKey of 6-ethylnonanoic acid?
The InChIKey is FLBSDHPXHXSFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-7-10(4-2)8-5-6-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 6-ethylnonanoic acid?
6-ethylnonanoic acid has a molecular weight of 186.29 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylnonanoic acid is sourced from PubChem (CID 19689071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).