8-ethyl-2-methylidenehenicosanoic acid

C24H46O2 — CID 23001942

IUPAC8-ethyl-2-methylidenehenicosanoic acid
SMILESC=C(CCCCCC(CC)CCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C24H46O2/c1-4-6-7-8-9-10-11-12-13-14-17-20-23(5-2)21-18-15-16-19-22(3)24(25)26/h23H,3-21H2,1-2H3,(H,25,26)
InChIKeyYDVPGDWIHQALBM-UHFFFAOYSA-N
MW366.63 g/mol
LogP8.31
Rot. Bonds20

About 8-ethyl-2-methylidenehenicosanoic acid

8-ethyl-2-methylidenehenicosanoic acid (PubChem CID 23001942) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 8-ethyl-2-methylidenehenicosanoic acid.

Molecular Properties

Compound Name8-ethyl-2-methylidenehenicosanoic acid
PubChem CID23001942
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name8-ethyl-2-methylidenehenicosanoic acid
SMILESC=C(CCCCCC(CC)CCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C24H46O2/c1-4-6-7-8-9-10-11-12-13-14-17-20-23(5-2)21-18-15-16-19-22(3)24(25)26/h23H,3-21H2,1-2H3,(H,25,26)
InChIKeyYDVPGDWIHQALBM-UHFFFAOYSA-N
XLogP8.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.31
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

5-ethyl-2-methylidenenonanoic acid;9-methyl-2-methylidenedecanoic acid
CID 87527831
5-hexyl-2-methylidenetridecanoic acid
CID 88921058
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
magnesium;hydride;2-methylideneheptanoic acid
CID 174921756
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
9-ethyloctadecanoic acid
CID 11045212
7-ethyldodecanoic acid
CID 5282689
2-methylidenehexanoic acid;zinc
CID 174824467
14-ethyl-11-methylideneoctacosane
CID 142291477
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-methylidenehenicosanoic acid?
The IUPAC name of 8-ethyl-2-methylidenehenicosanoic acid (CID 23001942) is 8-ethyl-2-methylidenehenicosanoic acid.
What is the SMILES notation for 8-ethyl-2-methylidenehenicosanoic acid?
The canonical SMILES for 8-ethyl-2-methylidenehenicosanoic acid is C=C(CCCCCC(CC)CCCCCCCCCCCCC)C(=O)O.
What is the InChIKey of 8-ethyl-2-methylidenehenicosanoic acid?
The InChIKey is YDVPGDWIHQALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-4-6-7-8-9-10-11-12-13-14-17-20-23(5-2)21-18-15-16-19-22(3)24(25)26/h23H,3-21H2,1-2H3,(H,25,26).
What are the key properties of 8-ethyl-2-methylidenehenicosanoic acid?
8-ethyl-2-methylidenehenicosanoic acid has a molecular weight of 366.63 g/mol, XLogP of 8.31, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-methylidenehenicosanoic acid is sourced from PubChem (CID 23001942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).