(3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene

C19H24F4O2 — CID 145420686

IUPAC(3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C(CCOC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)OCCCC
InChIInChI=1S/C19H24F4O2/c1-7-8-10-25-15(5)19(23)18(22)14(4)13(3)17(21)16(20)12(2)9-11-24-6/h2-5,7-11H2,1,6H3/b17-16-,19-18-
InChIKeyHFOWPRLHWFSVJO-BLLVGQQCSA-N
MW360.39 g/mol
LogP6.32
Rot. Bonds12

About (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene

(3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene (PubChem CID 145420686) has the molecular formula C19H24F4O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene.

Molecular Properties

Compound Name(3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene
PubChem CID145420686
Molecular FormulaC19H24F4O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name(3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C(CCOC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)OCCCC
InChIInChI=1S/C19H24F4O2/c1-7-8-10-25-15(5)19(23)18(22)14(4)13(3)17(21)16(20)12(2)9-11-24-6/h2-5,7-11H2,1,6H3/b17-16-,19-18-
InChIKeyHFOWPRLHWFSVJO-BLLVGQQCSA-N
XLogP6.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
The IUPAC name of (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene (CID 145420686) is (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene.
What is the SMILES notation for (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
The canonical SMILES for (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene is C=C(CCOC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)OCCCC.
What is the InChIKey of (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
The InChIKey is HFOWPRLHWFSVJO-BLLVGQQCSA-N. The full InChI is InChI=1S/C19H24F4O2/c1-7-8-10-25-15(5)19(23)18(22)14(4)13(3)17(21)16(20)12(2)9-11-24-6/h2-5,7-11H2,1,6H3/b17-16-,19-18-.
What are the key properties of (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene?
(3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene has a molecular weight of 360.39 g/mol, XLogP of 6.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2-butoxy-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylideneundeca-1,3,7-triene is sourced from PubChem (CID 145420686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).