2-methyl-4-propyldec-2-enoic acid

C14H26O2 — CID 173472927

IUPAC2-methyl-4-propyldec-2-enoic acid
SMILESCCCCCCC(C=C(C)C(=O)O)CCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-10-13(9-5-2)11-12(3)14(15)16/h11,13H,4-10H2,1-3H3,(H,15,16)
InChIKeyKWNNJZYJORSCNA-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.40
Rot. Bonds9

About 2-methyl-4-propyldec-2-enoic acid

2-methyl-4-propyldec-2-enoic acid (PubChem CID 173472927) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-4-propyldec-2-enoic acid.

Molecular Properties

Compound Name2-methyl-4-propyldec-2-enoic acid
PubChem CID173472927
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-4-propyldec-2-enoic acid
SMILESCCCCCCC(C=C(C)C(=O)O)CCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-10-13(9-5-2)11-12(3)14(15)16/h11,13H,4-10H2,1-3H3,(H,15,16)
InChIKeyKWNNJZYJORSCNA-UHFFFAOYSA-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

(E)-4-ethyl-2-methylundec-2-enoic acid
CID 23505055
(Z)-4-ethyl-2-methyloct-2-enoic acid
CID 5354816
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
2,5-dimethylheptadec-2-enoic acid
CID 54050790
5-hydroxy-2-methyltridec-2-enoic acid
CID 123675074
2,8-dimethylhexadec-2-enoic acid
CID 90737317
5-ethyl-2-methylheptadec-2-enoic acid
CID 123385877
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyldec-2-enoic acid?
The IUPAC name of 2-methyl-4-propyldec-2-enoic acid (CID 173472927) is 2-methyl-4-propyldec-2-enoic acid.
What is the SMILES notation for 2-methyl-4-propyldec-2-enoic acid?
The canonical SMILES for 2-methyl-4-propyldec-2-enoic acid is CCCCCCC(C=C(C)C(=O)O)CCC.
What is the InChIKey of 2-methyl-4-propyldec-2-enoic acid?
The InChIKey is KWNNJZYJORSCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-7-8-10-13(9-5-2)11-12(3)14(15)16/h11,13H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-4-propyldec-2-enoic acid?
2-methyl-4-propyldec-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 2-methyl-4-propyldec-2-enoic acid is sourced from PubChem (CID 173472927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).