ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate

C20H36O3 — CID 175301569

IUPACethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate
SMILESC=CCOC(C/C=C\CCCCC)(CCCCC)C(=O)OCC
InChIInChI=1S/C20H36O3/c1-5-9-11-12-13-15-17-20(23-18-7-3,16-14-10-6-2)19(21)22-8-4/h7,13,15H,3,5-6,8-12,14,16-18H2,1-2,4H3/b15-13-
InChIKeyRPZLYJKTQHSASY-SQFISAMPSA-N
MW324.51 g/mol
LogP5.60
Rot. Bonds15

About ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate

ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate (PubChem CID 175301569) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate
PubChem CID175301569
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Nameethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate
SMILESC=CCOC(C/C=C\CCCCC)(CCCCC)C(=O)OCC
InChIInChI=1S/C20H36O3/c1-5-9-11-12-13-15-17-20(23-18-7-3,16-14-10-6-2)19(21)22-8-4/h7,13,15H,3,5-6,8-12,14,16-18H2,1-2,4H3/b15-13-
InChIKeyRPZLYJKTQHSASY-SQFISAMPSA-N
XLogP5.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.60
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 ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate?
The IUPAC name of ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate (CID 175301569) is ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate.
What is the SMILES notation for ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate?
The canonical SMILES for ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate is C=CCOC(C/C=C\CCCCC)(CCCCC)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate?
The InChIKey is RPZLYJKTQHSASY-SQFISAMPSA-N. The full InChI is InChI=1S/C20H36O3/c1-5-9-11-12-13-15-17-20(23-18-7-3,16-14-10-6-2)19(21)22-8-4/h7,13,15H,3,5-6,8-12,14,16-18H2,1-2,4H3/b15-13-.
What are the key properties of ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate?
ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate has a molecular weight of 324.51 g/mol, XLogP of 5.60, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-pentyl-2-prop-2-enoxydec-4-enoate is sourced from PubChem (CID 175301569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).