(E)-2-ethyldodec-6-enoic acid

C14H26O2 — CID 169209778

IUPAC(E)-2-ethyldodec-6-enoic acid
SMILESCCCCC/C=C/CCCC(CC)C(=O)O
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16/h8-9,13H,3-7,10-12H2,1-2H3,(H,15,16)/b9-8+
InChIKeyUEBMATOBSUDKLS-CMDGGOBGSA-N
MW226.36 g/mol
LogP4.40
Rot. Bonds10

About (E)-2-ethyldodec-6-enoic acid

(E)-2-ethyldodec-6-enoic acid (PubChem CID 169209778) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (E)-2-ethyldodec-6-enoic acid.

Molecular Properties

Compound Name(E)-2-ethyldodec-6-enoic acid
PubChem CID169209778
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(E)-2-ethyldodec-6-enoic acid
SMILESCCCCC/C=C/CCCC(CC)C(=O)O
InChIInChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16/h8-9,13H,3-7,10-12H2,1-2H3,(H,15,16)/b9-8+
InChIKeyUEBMATOBSUDKLS-CMDGGOBGSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.40
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-ethylundec-5-enoic acid
CID 169209777
2-ethylhexanoic acid;octadec-9-en-1-ol
CID 173316349
2-[(Z)-tetradec-7-enyl]icosanoic acid
CID 56844148
2-icos-11-enyltetracos-15-enoic acid
CID 54547643
(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
CID 87920196
acetic acid;decanoic acid;2-ethylhexanoic acid;(Z)-octadec-9-enoic acid;octanoic acid
CID 173454892
2-[(Z)-12-methyltetradec-7-enyl]octadecanoic acid
CID 174214794
(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid
CID 122446351
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
2-ethylhexanoic acid;hexadecane
CID 174408772
2-propylhexacosa-6,8,10,12,18-pentaenoic acid
CID 123541136

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyldodec-6-enoic acid?
The IUPAC name of (E)-2-ethyldodec-6-enoic acid (CID 169209778) is (E)-2-ethyldodec-6-enoic acid.
What is the SMILES notation for (E)-2-ethyldodec-6-enoic acid?
The canonical SMILES for (E)-2-ethyldodec-6-enoic acid is CCCCC/C=C/CCCC(CC)C(=O)O.
What is the InChIKey of (E)-2-ethyldodec-6-enoic acid?
The InChIKey is UEBMATOBSUDKLS-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13(4-2)14(15)16/h8-9,13H,3-7,10-12H2,1-2H3,(H,15,16)/b9-8+.
What are the key properties of (E)-2-ethyldodec-6-enoic acid?
(E)-2-ethyldodec-6-enoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyldodec-6-enoic acid is sourced from PubChem (CID 169209778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).