2,11-dimethylidenedodecanedioic acid

C14H22O4 — CID 20542368

IUPAC2,11-dimethylidenedodecanedioic acid
SMILESC=C(CCCCCCCCC(=C)C(=O)O)C(=O)O
InChIInChI=1S/C14H22O4/c1-11(13(15)16)9-7-5-3-4-6-8-10-12(2)14(17)18/h1-10H2,(H,15,16)(H,17,18)
InChIKeyLNBFYJVLPQWVSE-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.39
Rot. Bonds11

About 2,11-dimethylidenedodecanedioic acid

2,11-dimethylidenedodecanedioic acid (PubChem CID 20542368) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,11-dimethylidenedodecanedioic acid.

Molecular Properties

Compound Name2,11-dimethylidenedodecanedioic acid
PubChem CID20542368
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2,11-dimethylidenedodecanedioic acid
SMILESC=C(CCCCCCCCC(=C)C(=O)O)C(=O)O
InChIInChI=1S/C14H22O4/c1-11(13(15)16)9-7-5-3-4-6-8-10-12(2)14(17)18/h1-10H2,(H,15,16)(H,17,18)
InChIKeyLNBFYJVLPQWVSE-UHFFFAOYSA-N
XLogP3.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
2-methylidene-7-oxooctanoic acid
CID 87625234
12,12,12-trifluoro-2-methylidenedodecanoic acid
CID 150365035
7-(methylamino)-2-methylideneheptanoic acid
CID 118649610
5-chloro-2-methylidenepentanoic acid
CID 10953677
2-methylidenehexanoic acid;zinc
CID 174824467
8-hydroxy-2-methylidenenonanoic acid
CID 54254175
magnesium;hydride;2-methylideneheptanoic acid
CID 174921756
14-(diethylamino)-2-methylidenetetradecanoic acid
CID 54053311
2-methylidenehexanedioic acid;2-methylidenepentanedioic acid
CID 87602044
ethane;2-methylidenehexanoic acid
CID 162072915
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770

Frequently Asked Questions

What is the IUPAC name of 2,11-dimethylidenedodecanedioic acid?
The IUPAC name of 2,11-dimethylidenedodecanedioic acid (CID 20542368) is 2,11-dimethylidenedodecanedioic acid.
What is the SMILES notation for 2,11-dimethylidenedodecanedioic acid?
The canonical SMILES for 2,11-dimethylidenedodecanedioic acid is C=C(CCCCCCCCC(=C)C(=O)O)C(=O)O.
What is the InChIKey of 2,11-dimethylidenedodecanedioic acid?
The InChIKey is LNBFYJVLPQWVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-11(13(15)16)9-7-5-3-4-6-8-10-12(2)14(17)18/h1-10H2,(H,15,16)(H,17,18).
What are the key properties of 2,11-dimethylidenedodecanedioic acid?
2,11-dimethylidenedodecanedioic acid has a molecular weight of 254.33 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dimethylidenedodecanedioic acid is sourced from PubChem (CID 20542368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).