(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene

C27H32F4O2 — CID 143772580

IUPAC(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)OCC(C)C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C
InChIInChI=1S/C27H32F4O2/c1-11-14-32-23(10)27(31)25(29)20(7)18(5)13-12-17(4)19(6)24(28)26(30)21(8)22(9)33-15-16(2)3/h11-14,16,22H,4-8,10,15H2,1-3,9H3/b13-12-,14-11-,26-24-,27-25-
InChIKeyHSSLWTIEUAFTGQ-RINWDLFJSA-N
MW464.54 g/mol
LogP8.75
Rot. Bonds14

About (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene

(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene (PubChem CID 143772580) has the molecular formula C27H32F4O2 and a molecular weight of 464.54 g/mol. Its IUPAC name is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene
PubChem CID143772580
Molecular FormulaC27H32F4O2
Molecular Weight464.54 g/mol
Exact Mass464.23
IUPAC Name(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)OCC(C)C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C
InChIInChI=1S/C27H32F4O2/c1-11-14-32-23(10)27(31)25(29)20(7)18(5)13-12-17(4)19(6)24(28)26(30)21(8)22(9)33-15-16(2)3/h11-14,16,22H,4-8,10,15H2,1-3,9H3/b13-12-,14-11-,26-24-,27-25-
InChIKeyHSSLWTIEUAFTGQ-RINWDLFJSA-N
XLogP8.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene?
The IUPAC name of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene (CID 143772580) is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene.
What is the SMILES notation for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene?
The canonical SMILES for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)OCC(C)C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C.
What is the InChIKey of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene?
The InChIKey is HSSLWTIEUAFTGQ-RINWDLFJSA-N. The full InChI is InChI=1S/C27H32F4O2/c1-11-14-32-23(10)27(31)25(29)20(7)18(5)13-12-17(4)19(6)24(28)26(30)21(8)22(9)33-15-16(2)3/h11-14,16,22H,4-8,10,15H2,1-3,9H3/b13-12-,14-11-,26-24-,27-25-.
What are the key properties of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene?
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene has a molecular weight of 464.54 g/mol, XLogP of 8.75, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-[(Z)-prop-1-enoxy]pentadeca-1,3,7,11-tetraene is sourced from PubChem (CID 143772580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).