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

C34H46F4O — CID 143772553

IUPAC(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)OCCC)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)C(C)CCC(C)C
InChIInChI=1S/C34H46F4O/c1-13-20-39-30(12)34(38)33(37)29(11)26(8)19-18-25(7)28(10)32(36)31(35)27(9)24(6)17-16-23(5)22(4)15-14-21(2)3/h17-19,21-23H,7-16,20H2,1-6H3/b19-18-,24-17+,32-31-,34-33-
InChIKeyWQPQODQAAXVPMQ-KPKGPQGHSA-N
MW546.73 g/mol
LogP11.61
Rot. Bonds18

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

(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene (PubChem CID 143772553) has the molecular formula C34H46F4O and a molecular weight of 546.73 g/mol. Its IUPAC name is (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene.

Molecular Properties

Compound Name(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene
PubChem CID143772553
Molecular FormulaC34H46F4O
Molecular Weight546.73 g/mol
Exact Mass546.35
IUPAC Name(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)OCCC)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)C(C)CCC(C)C
InChIInChI=1S/C34H46F4O/c1-13-20-39-30(12)34(38)33(37)29(11)26(8)19-18-25(7)28(10)32(36)31(35)27(9)24(6)17-16-23(5)22(4)15-14-21(2)3/h17-19,21-23H,7-16,20H2,1-6H3/b19-18-,24-17+,32-31-,34-33-
InChIKeyWQPQODQAAXVPMQ-KPKGPQGHSA-N
XLogP11.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.73
LogP ≤ 511.61
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-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene with MolForge

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Related Compounds

(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-propoxyoctadeca-1,3,7,11,14-pentaene
CID 143772841
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-pent-4-enoxydocosa-1,3,7,11,14-pentaene
CID 143772796
(3Z,7Z,11E)-3,4,11-trifluoro-14-(2-methylbutoxy)-5,6,9,10,13-pentamethylidene-2-propoxypentadeca-1,3,7,11-tetraene
CID 143773052
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11-tetraene
CID 143772829
ethene;(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-2,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11,14-pentaene
CID 143772883
(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 176948900
(3Z,7Z,11E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11-tetraene
CID 143773158
(3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene
CID 145420651
ethene;(4E,7Z,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-4,7,15,17-tetraen-2-ol
CID 143909089
2,5,6-trimethyl-9-propoxydecane
CID 143799470
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene?
The IUPAC name of (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene (CID 143772553) is (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene.
What is the SMILES notation for (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene?
The canonical SMILES for (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene is C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)OCCC)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-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene?
The InChIKey is WQPQODQAAXVPMQ-KPKGPQGHSA-N. The full InChI is InChI=1S/C34H46F4O/c1-13-20-39-30(12)34(38)33(37)29(11)26(8)19-18-25(7)28(10)32(36)31(35)27(9)24(6)17-16-23(5)22(4)15-14-21(2)3/h17-19,21-23H,7-16,20H2,1-6H3/b19-18-,24-17+,32-31-,34-33-.
What are the key properties of (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene?
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene has a molecular weight of 546.73 g/mol, XLogP of 11.61, 18 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-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene is sourced from PubChem (CID 143772553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).