2-methylidenedodecanoic acid

C13H24O2 — CID 5282682

IUPAC2-methylidenedodecanoic acid
SMILESC=C(CCCCCCCCCC)C(=O)O
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h2-11H2,1H3,(H,14,15)
InChIKeyYWZKHUXXEKYLCD-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.16
Rot. Bonds10

About 2-methylidenedodecanoic acid

2-methylidenedodecanoic acid (PubChem CID 5282682) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methylidenedodecanoic acid.

Molecular Properties

Compound Name2-methylidenedodecanoic acid
PubChem CID5282682
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methylidenedodecanoic acid
SMILESC=C(CCCCCCCCCC)C(=O)O
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h2-11H2,1H3,(H,14,15)
InChIKeyYWZKHUXXEKYLCD-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of 2-methylidenedodecanoic acid?
The IUPAC name of 2-methylidenedodecanoic acid (CID 5282682) is 2-methylidenedodecanoic acid.
What is the SMILES notation for 2-methylidenedodecanoic acid?
The canonical SMILES for 2-methylidenedodecanoic acid is C=C(CCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-methylidenedodecanoic acid?
The InChIKey is YWZKHUXXEKYLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h2-11H2,1H3,(H,14,15).
What are the key properties of 2-methylidenedodecanoic acid?
2-methylidenedodecanoic acid has a molecular weight of 212.33 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenedodecanoic acid is sourced from PubChem (CID 5282682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).