2-ethylnon-7-enoic acid

C11H20O2 — CID 143730555

IUPAC2-ethylnon-7-enoic acid
SMILESCC=CCCCCC(CC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10(4-2)11(12)13/h3,5,10H,4,6-9H2,1-2H3,(H,12,13)
InChIKeyFMIWWCKEUYCQGE-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds7

About 2-ethylnon-7-enoic acid

2-ethylnon-7-enoic acid (PubChem CID 143730555) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethylnon-7-enoic acid.

Molecular Properties

Compound Name2-ethylnon-7-enoic acid
PubChem CID143730555
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethylnon-7-enoic acid
SMILESCC=CCCCCC(CC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10(4-2)11(12)13/h3,5,10H,4,6-9H2,1-2H3,(H,12,13)
InChIKeyFMIWWCKEUYCQGE-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-dodec-10-enyl]butanedioic acid
CID 101277909
(E)-2-ethyldodec-6-enoic acid
CID 169209778
(9E,12E,15E)-2-ethyloctadeca-9,12,15-trienoic acid
CID 22321183
2-octylhexadeca-6,10,14-trienoic acid
CID 141369236
tert-butyl 2-ethylnon-7-enoate
CID 141062972
2-ethylundec-5-enoic acid
CID 169209777
(E)-2-methylnon-7-enoic acid
CID 146276957
2-icos-11-enyltetracos-15-enoic acid
CID 54547643
2-[(Z)-tetradec-7-enyl]icosanoic acid
CID 56844148
(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
CID 87920196
2-ethylhexanoic acid;octadec-9-en-1-ol
CID 173316349
acetic acid;decanoic acid;2-ethylhexanoic acid;(Z)-octadec-9-enoic acid;octanoic acid
CID 173454892

Frequently Asked Questions

What is the IUPAC name of 2-ethylnon-7-enoic acid?
The IUPAC name of 2-ethylnon-7-enoic acid (CID 143730555) is 2-ethylnon-7-enoic acid.
What is the SMILES notation for 2-ethylnon-7-enoic acid?
The canonical SMILES for 2-ethylnon-7-enoic acid is CC=CCCCCC(CC)C(=O)O.
What is the InChIKey of 2-ethylnon-7-enoic acid?
The InChIKey is FMIWWCKEUYCQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10(4-2)11(12)13/h3,5,10H,4,6-9H2,1-2H3,(H,12,13).
What are the key properties of 2-ethylnon-7-enoic acid?
2-ethylnon-7-enoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylnon-7-enoic acid is sourced from PubChem (CID 143730555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).