5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid

C24H44O4 — CID 87527831

IUPAC5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid
SMILESC=C(CCC(CC)CCCC)C(=O)O.C=C(CCCCCCC(C)C)C(=O)O
InChIInChI=1S/2C12H22O2/c1-10(2)8-6-4-5-7-9-11(3)12(13)14;1-4-6-7-11(5-2)9-8-10(3)12(13)14/h10H,3-9H2,1-2H3,(H,13,14);11H,3-9H2,1-2H3,(H,13,14)
InChIKeyUXWOKKMEYBZIFT-UHFFFAOYSA-N
MW396.61 g/mol
LogP7.25
Rot. Bonds16

About 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid

5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid (PubChem CID 87527831) has the molecular formula C24H44O4 and a molecular weight of 396.61 g/mol. Its IUPAC name is 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid.

Molecular Properties

Compound Name5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid
PubChem CID87527831
Molecular FormulaC24H44O4
Molecular Weight396.61 g/mol
Exact Mass396.32
IUPAC Name5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid
SMILESC=C(CCC(CC)CCCC)C(=O)O.C=C(CCCCCCC(C)C)C(=O)O
InChIInChI=1S/2C12H22O2/c1-10(2)8-6-4-5-7-9-11(3)12(13)14;1-4-6-7-11(5-2)9-8-10(3)12(13)14/h10H,3-9H2,1-2H3,(H,13,14);11H,3-9H2,1-2H3,(H,13,14)
InChIKeyUXWOKKMEYBZIFT-UHFFFAOYSA-N
XLogP7.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 57.25
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

8-ethyl-2-methylidenehenicosanoic acid
CID 23001942
5-hexyl-2-methylidenetridecanoic acid
CID 88921058
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
8,9-dibromo-2-methylideneoctadecanoic acid
CID 22753991
(9R,10R)-9,10-dibromo-2-methylideneoctadecanoic acid
CID 129383070
9,10-dibromo-2-methylideneheptadecanoic acid
CID 22753976
magnesium;hydride;2-methylideneheptanoic acid
CID 174921756
9-ethyloctadecanoic acid
CID 11045212
8-hydroxy-2-methylidenenonanoic acid
CID 54254175
7-ethyldodecanoic acid
CID 5282689
2-methylidenehexanoic acid;zinc
CID 174824467
14-ethyl-11-methylideneoctacosane
CID 142291477

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid?
The IUPAC name of 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid (CID 87527831) is 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid.
What is the SMILES notation for 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid?
The canonical SMILES for 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid is C=C(CCC(CC)CCCC)C(=O)O.C=C(CCCCCCC(C)C)C(=O)O.
What is the InChIKey of 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid?
The InChIKey is UXWOKKMEYBZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22O2/c1-10(2)8-6-4-5-7-9-11(3)12(13)14;1-4-6-7-11(5-2)9-8-10(3)12(13)14/h10H,3-9H2,1-2H3,(H,13,14);11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid?
5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid has a molecular weight of 396.61 g/mol, XLogP of 7.25, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid is sourced from PubChem (CID 87527831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).