2-methylidene-3-propylnonadecanoic acid

C23H44O2 — CID 174308550

IUPAC2-methylidene-3-propylnonadecanoic acid
SMILESC=C(C(=O)O)C(CCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22(19-5-2)21(3)23(24)25/h22H,3-20H2,1-2H3,(H,24,25)
InChIKeyKZDMXXPWQRLSOG-UHFFFAOYSA-N
MW352.60 g/mol
LogP7.91
Rot. Bonds19

About 2-methylidene-3-propylnonadecanoic acid

2-methylidene-3-propylnonadecanoic acid (PubChem CID 174308550) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 2-methylidene-3-propylnonadecanoic acid.

Molecular Properties

Compound Name2-methylidene-3-propylnonadecanoic acid
PubChem CID174308550
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name2-methylidene-3-propylnonadecanoic acid
SMILESC=C(C(=O)O)C(CCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22(19-5-2)21(3)23(24)25/h22H,3-20H2,1-2H3,(H,24,25)
InChIKeyKZDMXXPWQRLSOG-UHFFFAOYSA-N
XLogP7.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.91
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

3-dodecyl-2-methylidenepentacosanoic acid
CID 87864826
2-methylidene-3-pentyloctanoic acid
CID 87510029
3-ethyl-2-methylideneundecanoic acid
CID 87290389
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
2-methylidene-3-octyldodecanamide
CID 87240147
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-propylnonadecanoic acid?
The IUPAC name of 2-methylidene-3-propylnonadecanoic acid (CID 174308550) is 2-methylidene-3-propylnonadecanoic acid.
What is the SMILES notation for 2-methylidene-3-propylnonadecanoic acid?
The canonical SMILES for 2-methylidene-3-propylnonadecanoic acid is C=C(C(=O)O)C(CCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of 2-methylidene-3-propylnonadecanoic acid?
The InChIKey is KZDMXXPWQRLSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22(19-5-2)21(3)23(24)25/h22H,3-20H2,1-2H3,(H,24,25).
What are the key properties of 2-methylidene-3-propylnonadecanoic acid?
2-methylidene-3-propylnonadecanoic acid has a molecular weight of 352.60 g/mol, XLogP of 7.91, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-propylnonadecanoic acid is sourced from PubChem (CID 174308550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).