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

C34H44F4O — CID 143772774

IUPAC(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene
SMILESC=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)C(C)CCC(C)C
InChIInChI=1S/C34H44F4O/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/h13,17-19,21-23H,1,7-12,14-16,20H2,2-6H3/b19-18-,24-17+,32-31-,34-33-
InChIKeyZTMYOPKKKKIQLJ-KPKGPQGHSA-N
MW544.72 g/mol
LogP11.39
Rot. Bonds18

About (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-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-prop-2-enoxydocosa-1,3,7,11,14-pentaene (PubChem CID 143772774) has the molecular formula C34H44F4O and a molecular weight of 544.72 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-prop-2-enoxydocosa-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-prop-2-enoxydocosa-1,3,7,11,14-pentaene
PubChem CID143772774
Molecular FormulaC34H44F4O
Molecular Weight544.72 g/mol
Exact Mass544.33
IUPAC Name(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene
SMILESC=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)/C(C)=C/CC(C)C(C)CCC(C)C
InChIInChI=1S/C34H44F4O/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/h13,17-19,21-23H,1,7-12,14-16,20H2,2-6H3/b19-18-,24-17+,32-31-,34-33-
InChIKeyZTMYOPKKKKIQLJ-KPKGPQGHSA-N
XLogP11.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.72
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enoxydocosa-1,3,7,11,14-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Octylcyclohexen-1-yl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56606008
2-(4-Heptylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56612081
2-(4-Octylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56617428
2-(4-Butylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56625178
2-(4-Ethylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56627504
2-(4-Hexylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56630035
5-(1,1,2,2,3-Pentafluoropropoxy)-2-(4-pentylcyclohexen-1-yl)cyclohexa-1,3-diene
CID 56631037
5-(1,1,2,2,3-Pentafluoropropoxy)-2-(4-propylcyclohexen-1-yl)cyclohexa-1,3-diene
CID 56634936
5-(2-cyclohex-2-en-1-ylpropyl)-2-[(E,3S)-6-ethoxy-3-ethyl-5-fluorohept-4-enyl]-3-fluorocyclohexa-1,3-diene
CID 71103025
5-(1,1,2,2,3,3,4-Heptafluorobutoxy)-2-(4-octylcyclohexen-1-yl)cyclohexa-1,3-diene
CID 88473692
3-(4-ethenylcyclohexyl)-6-[(6Z,8E)-8-ethoxy-4-ethyl-6,7-difluorodeca-6,8-dienyl]-1,2-difluorocyclohexene
CID 88953178
(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
CID 88953273

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-prop-2-enoxydocosa-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-prop-2-enoxydocosa-1,3,7,11,14-pentaene (CID 143772774) is (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-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-prop-2-enoxydocosa-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-prop-2-enoxydocosa-1,3,7,11,14-pentaene is C=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)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-prop-2-enoxydocosa-1,3,7,11,14-pentaene?
The InChIKey is ZTMYOPKKKKIQLJ-KPKGPQGHSA-N. The full InChI is InChI=1S/C34H44F4O/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/h13,17-19,21-23H,1,7-12,14-16,20H2,2-6H3/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-prop-2-enoxydocosa-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-prop-2-enoxydocosa-1,3,7,11,14-pentaene has a molecular weight of 544.72 g/mol, XLogP of 11.39, 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-prop-2-enoxydocosa-1,3,7,11,14-pentaene is sourced from PubChem (CID 143772774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).