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

C34H48F4O — CID 143772833

IUPAC(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C(C)CCC(C)C)C(=C)/C(F)=C(\F)C(=C)OCCC
InChIInChI=1S/C34H48F4O/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/h18-19,21-24H,7-17,20H2,1-6H3/b19-18-,32-31-,34-33-
InChIKeyIJSFSTHXXCGFBC-PPSJMCTKSA-N
MW548.75 g/mol
LogP11.69
Rot. Bonds19

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

(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene (PubChem CID 143772833) has the molecular formula C34H48F4O and a molecular weight of 548.75 g/mol. Its IUPAC name is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene.

Molecular Properties

Compound Name(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene
PubChem CID143772833
Molecular FormulaC34H48F4O
Molecular Weight548.75 g/mol
Exact Mass548.36
IUPAC Name(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C(C)CCC(C)C)C(=C)/C(F)=C(\F)C(=C)OCCC
InChIInChI=1S/C34H48F4O/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/h18-19,21-24H,7-17,20H2,1-6H3/b19-18-,32-31-,34-33-
InChIKeyIJSFSTHXXCGFBC-PPSJMCTKSA-N
XLogP11.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.75
LogP ≤ 511.69
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)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene with MolForge

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Related Compounds

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2-(4-Octylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56617428
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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
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CID 56634936
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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
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(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene?
The IUPAC name of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene (CID 143772833) is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene.
What is the SMILES notation for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene?
The canonical SMILES for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C(C)CCC(C)C)C(=C)/C(F)=C(\F)C(=C)OCCC.
What is the InChIKey of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene?
The InChIKey is IJSFSTHXXCGFBC-PPSJMCTKSA-N. The full InChI is InChI=1S/C34H48F4O/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/h18-19,21-24H,7-17,20H2,1-6H3/b19-18-,32-31-,34-33-.
What are the key properties of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene?
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene has a molecular weight of 548.75 g/mol, XLogP of 11.69, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11-tetraene is sourced from PubChem (CID 143772833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).