methyl nonadecanoate

C20H40O2 — CID 15610

IUPACmethyl nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)OC
InChIInChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
InChIKeyBDXAHSJUDUZLDU-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.81
Rot. Bonds17

About methyl nonadecanoate

methyl nonadecanoate (PubChem CID 15610) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is methyl nonadecanoate.

Molecular Properties

Compound Namemethyl nonadecanoate
PubChem CID15610
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Namemethyl nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)OC
InChIInChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
InChIKeyBDXAHSJUDUZLDU-UHFFFAOYSA-N
XLogP6.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Palmitic Acid
CID 985
Stearic Acid
CID 5281
Docosanoic Acid
CID 8215
Isopropyl Myristate
CID 8042
Heptadecanoic Acid
CID 10465
Methyl Palmitate
CID 8181
Dibutyl Sebacate
CID 7986
Isopropyl Palmitate
CID 8907
Methyl Laurate
CID 8139
Methyl Decanoate
CID 8050
Hexacosanoic Acid
CID 10469
Eicosanoic Acid
CID 10467

Frequently Asked Questions

What is the IUPAC name of methyl nonadecanoate?
The IUPAC name of methyl nonadecanoate (CID 15610) is methyl nonadecanoate.
What is the SMILES notation for methyl nonadecanoate?
The canonical SMILES for methyl nonadecanoate is CCCCCCCCCCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl nonadecanoate?
The InChIKey is BDXAHSJUDUZLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3.
What are the key properties of methyl nonadecanoate?
methyl nonadecanoate has a molecular weight of 312.54 g/mol, XLogP of 6.81, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl nonadecanoate is sourced from PubChem (CID 15610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).