methyl (Z)-2-propyloctadec-9-enoate

C22H42O2 — CID 174670601

IUPACmethyl (Z)-2-propyloctadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCC(CCC)C(=O)OC
InChIInChI=1S/C22H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(19-5-2)22(23)24-3/h12-13,21H,4-11,14-20H2,1-3H3/b13-12-
InChIKeyXUXSTXDJACWZDP-SEYXRHQNSA-N
MW338.58 g/mol
LogP7.22
Rot. Bonds17

About methyl (Z)-2-propyloctadec-9-enoate

methyl (Z)-2-propyloctadec-9-enoate (PubChem CID 174670601) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is methyl (Z)-2-propyloctadec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-propyloctadec-9-enoate
PubChem CID174670601
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Namemethyl (Z)-2-propyloctadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCC(CCC)C(=O)OC
InChIInChI=1S/C22H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(19-5-2)22(23)24-3/h12-13,21H,4-11,14-20H2,1-3H3/b13-12-
InChIKeyXUXSTXDJACWZDP-SEYXRHQNSA-N
XLogP7.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methyl 2-propyltetradecanoate
CID 174361538
(Z)-19-methoxycarbonyltritriacont-9-enoic acid
CID 87313417
methyl 2-undecyltridecanoate
CID 176610383
2-hexadecyloctadec-9-enoyl 2-hexadecyloctadec-9-enoate
CID 173425586
methyl 2-(2-sulfanylethyl)octadec-9-enoate;bis(2-(2-sulfanylethyl)octadec-9-enoic acid)
CID 173455078
ethyl 2-propyltetradec-5-enoate
CID 154049027
octyl (Z)-2-dodecyloctadec-9-enoate
CID 154635313
methyl (Z)-2-aminooctadec-9-enoate
CID 160622893
dodecyl (Z)-2-octyloctadec-9-enoate
CID 11192280
methyl (Z)-2-aminohexadec-9-enoate
CID 150010040
ethyl 2-propyloctadec-5-enoate
CID 91292288
dimethyl 2-hexyltridec-4-enedioate
CID 71341519

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-propyloctadec-9-enoate?
The IUPAC name of methyl (Z)-2-propyloctadec-9-enoate (CID 174670601) is methyl (Z)-2-propyloctadec-9-enoate.
What is the SMILES notation for methyl (Z)-2-propyloctadec-9-enoate?
The canonical SMILES for methyl (Z)-2-propyloctadec-9-enoate is CCCCCCCC/C=C\CCCCCCC(CCC)C(=O)OC.
What is the InChIKey of methyl (Z)-2-propyloctadec-9-enoate?
The InChIKey is XUXSTXDJACWZDP-SEYXRHQNSA-N. The full InChI is InChI=1S/C22H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(19-5-2)22(23)24-3/h12-13,21H,4-11,14-20H2,1-3H3/b13-12-.
What are the key properties of methyl (Z)-2-propyloctadec-9-enoate?
methyl (Z)-2-propyloctadec-9-enoate has a molecular weight of 338.58 g/mol, XLogP of 7.22, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-propyloctadec-9-enoate is sourced from PubChem (CID 174670601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).