18-methylnonadec-18-enoic acid

C20H38O2 — CID 123841309

IUPAC18-methylnonadec-18-enoic acid
SMILESC=C(C)CCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H38O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h1,3-18H2,2H3,(H,21,22)
InChIKeyOJEHBNJIIUQIIU-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.89
Rot. Bonds17

About 18-methylnonadec-18-enoic acid

18-methylnonadec-18-enoic acid (PubChem CID 123841309) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 18-methylnonadec-18-enoic acid.

Molecular Properties

Compound Name18-methylnonadec-18-enoic acid
PubChem CID123841309
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name18-methylnonadec-18-enoic acid
SMILESC=C(C)CCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H38O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h1,3-18H2,2H3,(H,21,22)
InChIKeyOJEHBNJIIUQIIU-UHFFFAOYSA-N
XLogP6.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,14-dimethylpentadeca-1,14-diene
CID 123962057
19-methylicos-19-en-2-one
CID 170573260
11-hydroxydodec-11-enoic acid
CID 23566131
dodecanoic acid;bis(2-methylprop-1-ene)
CID 160518474
heptakis(decanedioic acid);ethene
CID 173236204
methanol;tridecanedioic acid
CID 175511493
hexanedioic acid;propan-2-one
CID 158520683
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511

Frequently Asked Questions

What is the IUPAC name of 18-methylnonadec-18-enoic acid?
The IUPAC name of 18-methylnonadec-18-enoic acid (CID 123841309) is 18-methylnonadec-18-enoic acid.
What is the SMILES notation for 18-methylnonadec-18-enoic acid?
The canonical SMILES for 18-methylnonadec-18-enoic acid is C=C(C)CCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 18-methylnonadec-18-enoic acid?
The InChIKey is OJEHBNJIIUQIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h1,3-18H2,2H3,(H,21,22).
What are the key properties of 18-methylnonadec-18-enoic acid?
18-methylnonadec-18-enoic acid has a molecular weight of 310.52 g/mol, XLogP of 6.89, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methylnonadec-18-enoic acid is sourced from PubChem (CID 123841309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).