3-ethenylideneoctanoic acid

C10H16O2 — CID 174833719

IUPAC3-ethenylideneoctanoic acid
SMILESC=C=C(CCCCC)CC(=O)O
InChIInChI=1S/C10H16O2/c1-3-5-6-7-9(4-2)8-10(11)12/h2-3,5-8H2,1H3,(H,11,12)
InChIKeyGHNJFIYKXJHOSO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.75
Rot. Bonds6

About 3-ethenylideneoctanoic acid

3-ethenylideneoctanoic acid (PubChem CID 174833719) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-ethenylideneoctanoic acid.

Molecular Properties

Compound Name3-ethenylideneoctanoic acid
PubChem CID174833719
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-ethenylideneoctanoic acid
SMILESC=C=C(CCCCC)CC(=O)O
InChIInChI=1S/C10H16O2/c1-3-5-6-7-9(4-2)8-10(11)12/h2-3,5-8H2,1H3,(H,11,12)
InChIKeyGHNJFIYKXJHOSO-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.75
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

octadecanoic acid;propanedioic acid
CID 159340862
3-methylidenetetradecanoic acid
CID 89137857
CID 57488644
CID 57488644
2-(2-ethenylidenehexyl)propanedioic acid
CID 174816589
12-(oxomethylidene)octadecanoic acid
CID 141120362
ethene;bis(octadecanoic acid)
CID 158437449
ethene;pentadecanoic acid
CID 158692309
ethene;bis(hexadecanoic acid)
CID 159407360
3,4-dioxononadecanoic acid
CID 155267286
henicosane;tetracontanoic acid
CID 175935348
butane;hexanoic acid
CID 87467677
henicosane;tricosanoic acid
CID 175935357

Frequently Asked Questions

What is the IUPAC name of 3-ethenylideneoctanoic acid?
The IUPAC name of 3-ethenylideneoctanoic acid (CID 174833719) is 3-ethenylideneoctanoic acid.
What is the SMILES notation for 3-ethenylideneoctanoic acid?
The canonical SMILES for 3-ethenylideneoctanoic acid is C=C=C(CCCCC)CC(=O)O.
What is the InChIKey of 3-ethenylideneoctanoic acid?
The InChIKey is GHNJFIYKXJHOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-6-7-9(4-2)8-10(11)12/h2-3,5-8H2,1H3,(H,11,12).
What are the key properties of 3-ethenylideneoctanoic acid?
3-ethenylideneoctanoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylideneoctanoic acid is sourced from PubChem (CID 174833719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).