(E)-4-ethyl-2-methylundec-2-enoic acid

C14H26O2 — CID 23505055

IUPAC(E)-4-ethyl-2-methylundec-2-enoic acid
SMILESCCCCCCCC(/C=C(\C)C(=O)O)CC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-13(5-2)11-12(3)14(15)16/h11,13H,4-10H2,1-3H3,(H,15,16)/b12-11+
InChIKeyFFOJTMWEUZRGTQ-VAWYXSNFSA-N
MW226.36 g/mol
LogP4.40
Rot. Bonds9

About (E)-4-ethyl-2-methylundec-2-enoic acid

(E)-4-ethyl-2-methylundec-2-enoic acid (PubChem CID 23505055) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (E)-4-ethyl-2-methylundec-2-enoic acid.

Molecular Properties

Compound Name(E)-4-ethyl-2-methylundec-2-enoic acid
PubChem CID23505055
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(E)-4-ethyl-2-methylundec-2-enoic acid
SMILESCCCCCCCC(/C=C(\C)C(=O)O)CC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-13(5-2)11-12(3)14(15)16/h11,13H,4-10H2,1-3H3,(H,15,16)/b12-11+
InChIKeyFFOJTMWEUZRGTQ-VAWYXSNFSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-ethyl-2-methyloct-2-enoic acid
CID 5354816
2-methyl-4-propyldec-2-enoic acid
CID 173472927
2-methyl-4-octyltridec-2-enamide
CID 173039880
(4S,6S)-2,4,6-trimethyltetracos-2-enoic acid
CID 91090487
13-formyl-2-methylhenicos-2-enoic acid
CID 123997925
(2E,5E)-4-butyl-2,6-dimethylhepta-2,5-dienedioic acid
CID 87997943
5-ethyl-2-methylheptadec-2-enoic acid
CID 123385877
5-hydroxy-2-methyltridec-2-enoic acid
CID 123675074
2,5-dimethylheptadec-2-enoic acid
CID 54050790
2-ethylheptadecanal
CID 18629573
2,8-dimethylhexadec-2-enoic acid
CID 90737317
1,1-dibromo-3-ethylhept-1-ene
CID 86711721

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-2-methylundec-2-enoic acid?
The IUPAC name of (E)-4-ethyl-2-methylundec-2-enoic acid (CID 23505055) is (E)-4-ethyl-2-methylundec-2-enoic acid.
What is the SMILES notation for (E)-4-ethyl-2-methylundec-2-enoic acid?
The canonical SMILES for (E)-4-ethyl-2-methylundec-2-enoic acid is CCCCCCCC(/C=C(\C)C(=O)O)CC.
What is the InChIKey of (E)-4-ethyl-2-methylundec-2-enoic acid?
The InChIKey is FFOJTMWEUZRGTQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-7-8-9-10-13(5-2)11-12(3)14(15)16/h11,13H,4-10H2,1-3H3,(H,15,16)/b12-11+.
What are the key properties of (E)-4-ethyl-2-methylundec-2-enoic acid?
(E)-4-ethyl-2-methylundec-2-enoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-2-methylundec-2-enoic acid is sourced from PubChem (CID 23505055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).