(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene

C32H42F4O — CID 143772574

IUPAC(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)OC)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)C(C)CCC(C)C
InChIInChI=1S/C32H42F4O/c1-19(2)13-14-20(3)21(4)15-16-22(5)25(8)29(33)30(34)26(9)23(6)17-18-24(7)27(10)31(35)32(36)28(11)37-12/h16-21H,6-11,13-15H2,1-5,12H3/b18-17-,22-16+,30-29-,32-31-
InChIKeyKGIRXGPTLDJSLZ-RXDRRYSUSA-N
MW518.68 g/mol
LogP10.83
Rot. Bonds16

About (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene

(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene (PubChem CID 143772574) has the molecular formula C32H42F4O and a molecular weight of 518.68 g/mol. Its IUPAC name is (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene.

Molecular Properties

Compound Name(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene
PubChem CID143772574
Molecular FormulaC32H42F4O
Molecular Weight518.68 g/mol
Exact Mass518.32
IUPAC Name(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)OC)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)C(C)CCC(C)C
InChIInChI=1S/C32H42F4O/c1-19(2)13-14-20(3)21(4)15-16-22(5)25(8)29(33)30(34)26(9)23(6)17-18-24(7)27(10)31(35)32(36)28(11)37-12/h16-21H,6-11,13-15H2,1-5,12H3/b18-17-,22-16+,30-29-,32-31-
InChIKeyKGIRXGPTLDJSLZ-RXDRRYSUSA-N
XLogP10.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.68
LogP ≤ 510.83
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'}

Analyze (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene?
The IUPAC name of (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene (CID 143772574) is (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene.
What is the SMILES notation for (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene?
The canonical SMILES for (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene is C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)OC)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)C(C)CCC(C)C.
What is the InChIKey of (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene?
The InChIKey is KGIRXGPTLDJSLZ-RXDRRYSUSA-N. The full InChI is InChI=1S/C32H42F4O/c1-19(2)13-14-20(3)21(4)15-16-22(5)25(8)29(33)30(34)26(9)23(6)17-18-24(7)27(10)31(35)32(36)28(11)37-12/h16-21H,6-11,13-15H2,1-5,12H3/b18-17-,22-16+,30-29-,32-31-.
What are the key properties of (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene?
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene has a molecular weight of 518.68 g/mol, XLogP of 10.83, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2-methoxy-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidenedocosa-1,3,7,11,14-pentaene is sourced from PubChem (CID 143772574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).