2-methoxyethyl (Z)-octadec-9-enoate

C21H40O3 — CID 5385377

IUPAC2-methoxyethyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCOC
InChIInChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyUFARNTYYPHYLGN-KHPPLWFESA-N
MW340.55 g/mol
LogP6.21
Rot. Bonds18

About 2-methoxyethyl (Z)-octadec-9-enoate

2-methoxyethyl (Z)-octadec-9-enoate (PubChem CID 5385377) has the molecular formula C21H40O3 and a molecular weight of 340.55 g/mol. Its IUPAC name is 2-methoxyethyl (Z)-octadec-9-enoate.

Molecular Properties

Compound Name2-methoxyethyl (Z)-octadec-9-enoate
PubChem CID5385377
Molecular FormulaC21H40O3
Molecular Weight340.55 g/mol
Exact Mass340.30
IUPAC Name2-methoxyethyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCOC
InChIInChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyUFARNTYYPHYLGN-KHPPLWFESA-N
XLogP6.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (Z)-octadec-9-enoate?
The IUPAC name of 2-methoxyethyl (Z)-octadec-9-enoate (CID 5385377) is 2-methoxyethyl (Z)-octadec-9-enoate.
What is the SMILES notation for 2-methoxyethyl (Z)-octadec-9-enoate?
The canonical SMILES for 2-methoxyethyl (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl (Z)-octadec-9-enoate?
The InChIKey is UFARNTYYPHYLGN-KHPPLWFESA-N. The full InChI is InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-.
What are the key properties of 2-methoxyethyl (Z)-octadec-9-enoate?
2-methoxyethyl (Z)-octadec-9-enoate has a molecular weight of 340.55 g/mol, XLogP of 6.21, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (Z)-octadec-9-enoate is sourced from PubChem (CID 5385377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).