2-methylnonadec-2-enoic acid

C20H38O2 — CID 56612360

IUPAC2-methylnonadec-2-enoic acid
SMILESCCCCCCCCCCCCCCCCC=C(C)C(=O)O
InChIInChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(21)22/h18H,3-17H2,1-2H3,(H,21,22)
InChIKeySIWBJMTZAQFICY-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.89
Rot. Bonds16

About 2-methylnonadec-2-enoic acid

2-methylnonadec-2-enoic acid (PubChem CID 56612360) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 2-methylnonadec-2-enoic acid.

Molecular Properties

Compound Name2-methylnonadec-2-enoic acid
PubChem CID56612360
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name2-methylnonadec-2-enoic acid
SMILESCCCCCCCCCCCCCCCCC=C(C)C(=O)O
InChIInChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(21)22/h18H,3-17H2,1-2H3,(H,21,22)
InChIKeySIWBJMTZAQFICY-UHFFFAOYSA-N
XLogP6.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylnonadec-2-enoic acid?
The IUPAC name of 2-methylnonadec-2-enoic acid (CID 56612360) is 2-methylnonadec-2-enoic acid.
What is the SMILES notation for 2-methylnonadec-2-enoic acid?
The canonical SMILES for 2-methylnonadec-2-enoic acid is CCCCCCCCCCCCCCCCC=C(C)C(=O)O.
What is the InChIKey of 2-methylnonadec-2-enoic acid?
The InChIKey is SIWBJMTZAQFICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(21)22/h18H,3-17H2,1-2H3,(H,21,22).
What are the key properties of 2-methylnonadec-2-enoic acid?
2-methylnonadec-2-enoic acid has a molecular weight of 310.52 g/mol, XLogP of 6.89, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonadec-2-enoic acid is sourced from PubChem (CID 56612360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).