ethyl 2-propyltetradec-5-enoate

C19H36O2 — CID 154049027

IUPACethyl 2-propyltetradec-5-enoate
SMILESCCCCCCCCC=CCCC(CCC)C(=O)OCC
InChIInChI=1S/C19H36O2/c1-4-7-8-9-10-11-12-13-14-15-17-18(16-5-2)19(20)21-6-3/h13-14,18H,4-12,15-17H2,1-3H3
InChIKeyZMVVASLIFMBQIV-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.05
Rot. Bonds14

About ethyl 2-propyltetradec-5-enoate

ethyl 2-propyltetradec-5-enoate (PubChem CID 154049027) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is ethyl 2-propyltetradec-5-enoate.

Molecular Properties

Compound Nameethyl 2-propyltetradec-5-enoate
PubChem CID154049027
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Nameethyl 2-propyltetradec-5-enoate
SMILESCCCCCCCCC=CCCC(CCC)C(=O)OCC
InChIInChI=1S/C19H36O2/c1-4-7-8-9-10-11-12-13-14-15-17-18(16-5-2)19(20)21-6-3/h13-14,18H,4-12,15-17H2,1-3H3
InChIKeyZMVVASLIFMBQIV-UHFFFAOYSA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.05
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

ethyl 2-propyloctadec-5-enoate
CID 91292288
ethyl 2-propyloct-5-enoate
CID 140550038
2-propylheptadec-5-enoic acid
CID 91495561
2-propyloctadec-5-enoic acid
CID 141120150
methyl (Z)-2-propyloctadec-9-enoate
CID 174670601
19-ethoxycarbonylpentatriacont-9-enoic acid
CID 91126392
dodecyl (Z)-2-octyloctadec-9-enoate
CID 11192280
octyl (Z)-2-dodecyloctadec-9-enoate
CID 154635313
2-hexadecyloctadec-9-enoyl 2-hexadecyloctadec-9-enoate
CID 173425586
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
diethyl 2-octadec-9-en-2-ylpropanedioate
CID 54244861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propyltetradec-5-enoate?
The IUPAC name of ethyl 2-propyltetradec-5-enoate (CID 154049027) is ethyl 2-propyltetradec-5-enoate.
What is the SMILES notation for ethyl 2-propyltetradec-5-enoate?
The canonical SMILES for ethyl 2-propyltetradec-5-enoate is CCCCCCCCC=CCCC(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-propyltetradec-5-enoate?
The InChIKey is ZMVVASLIFMBQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-4-7-8-9-10-11-12-13-14-15-17-18(16-5-2)19(20)21-6-3/h13-14,18H,4-12,15-17H2,1-3H3.
What are the key properties of ethyl 2-propyltetradec-5-enoate?
ethyl 2-propyltetradec-5-enoate has a molecular weight of 296.50 g/mol, XLogP of 6.05, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propyltetradec-5-enoate is sourced from PubChem (CID 154049027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).