(E)-4-methyltetradec-2-enoic acid

C15H28O2 — CID 173352049

IUPAC(E)-4-methyltetradec-2-enoic acid
SMILESCCCCCCCCCCC(C)/C=C/C(=O)O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-14(2)12-13-15(16)17/h12-14H,3-11H2,1-2H3,(H,16,17)/b13-12+
InChIKeyIHVBQMPXHZCHPF-OUKQBFOZSA-N
MW240.39 g/mol
LogP4.79
Rot. Bonds11

About (E)-4-methyltetradec-2-enoic acid

(E)-4-methyltetradec-2-enoic acid (PubChem CID 173352049) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E)-4-methyltetradec-2-enoic acid.

Molecular Properties

Compound Name(E)-4-methyltetradec-2-enoic acid
PubChem CID173352049
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E)-4-methyltetradec-2-enoic acid
SMILESCCCCCCCCCCC(C)/C=C/C(=O)O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-14(2)12-13-15(16)17/h12-14H,3-11H2,1-2H3,(H,16,17)/b13-12+
InChIKeyIHVBQMPXHZCHPF-OUKQBFOZSA-N
XLogP4.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.79
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

4-hydroxyheptacos-2-enoic acid
CID 88698148
methyl (E,4R)-4-methyldec-2-enoate
CID 24746221
but-2-enedioic acid;undecane
CID 157202832
6-methyltetracos-4-enoic acid
CID 173102051
(E,4R)-4-methyl-1-phenylnon-2-en-1-one
CID 102273779
2-methyldodecanal
CID 87784106
(Z)-5-methylundec-2-enoic acid
CID 155211364
(E,7R,14R)-14-methyl-15-oxo-7-pentylpentadec-2-enoic acid
CID 162985310
10-methylheptadec-2-enoic acid
CID 176885853
(E)-7-methyltridec-5-en-3-one
CID 89048290
9-methylnonadec-10-enoic acid
CID 57288184
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyltetradec-2-enoic acid?
The IUPAC name of (E)-4-methyltetradec-2-enoic acid (CID 173352049) is (E)-4-methyltetradec-2-enoic acid.
What is the SMILES notation for (E)-4-methyltetradec-2-enoic acid?
The canonical SMILES for (E)-4-methyltetradec-2-enoic acid is CCCCCCCCCCC(C)/C=C/C(=O)O.
What is the InChIKey of (E)-4-methyltetradec-2-enoic acid?
The InChIKey is IHVBQMPXHZCHPF-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-14(2)12-13-15(16)17/h12-14H,3-11H2,1-2H3,(H,16,17)/b13-12+.
What are the key properties of (E)-4-methyltetradec-2-enoic acid?
(E)-4-methyltetradec-2-enoic acid has a molecular weight of 240.39 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyltetradec-2-enoic acid is sourced from PubChem (CID 173352049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).