(3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene

C21H36F2O — CID 143773178

IUPAC(3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)C
InChIInChI=1S/C21H36F2O/c1-9-24-19(8)21(23)20(22)18(7)17(6)13-12-16(5)15(4)11-10-14(2)3/h14-17H,7-13H2,1-6H3/b21-20-
InChIKeyUTQPDMYXUAKKKM-MRCUWXFGSA-N
MW342.51 g/mol
LogP7.37
Rot. Bonds12

About (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene

(3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene (PubChem CID 143773178) has the molecular formula C21H36F2O and a molecular weight of 342.51 g/mol. Its IUPAC name is (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene
PubChem CID143773178
Molecular FormulaC21H36F2O
Molecular Weight342.51 g/mol
Exact Mass342.27
IUPAC Name(3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)C
InChIInChI=1S/C21H36F2O/c1-9-24-19(8)21(23)20(22)18(7)17(6)13-12-16(5)15(4)11-10-14(2)3/h14-17H,7-13H2,1-6H3/b21-20-
InChIKeyUTQPDMYXUAKKKM-MRCUWXFGSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene?
The IUPAC name of (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene (CID 143773178) is (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene.
What is the SMILES notation for (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene?
The canonical SMILES for (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene is C=C(OCC)/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)C.
What is the InChIKey of (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene?
The InChIKey is UTQPDMYXUAKKKM-MRCUWXFGSA-N. The full InChI is InChI=1S/C21H36F2O/c1-9-24-19(8)21(23)20(22)18(7)17(6)13-12-16(5)15(4)11-10-14(2)3/h14-17H,7-13H2,1-6H3/b21-20-.
What are the key properties of (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene?
(3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene has a molecular weight of 342.51 g/mol, XLogP of 7.37, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethoxy-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-diene is sourced from PubChem (CID 143773178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).