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

C33H42F4O — CID 143772555

IUPAC(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-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)CCCC
InChIInChI=1S/C33H42F4O/c1-12-14-15-21(3)22(4)16-17-23(5)26(8)30(34)31(35)27(9)24(6)18-19-25(7)28(10)32(36)33(37)29(11)38-20-13-2/h13,17-19,21-22H,2,6-12,14-16,20H2,1,3-5H3/b19-18-,23-17+,31-30-,33-32-
InChIKeyQDFPQVYZDMFGEM-SUGDTDCUSA-N
MW530.69 g/mol
LogP11.14
Rot. Bonds18

About (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-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-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene (PubChem CID 143772555) has the molecular formula C33H42F4O and a molecular weight of 530.69 g/mol. Its IUPAC name is (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-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-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene
PubChem CID143772555
Molecular FormulaC33H42F4O
Molecular Weight530.69 g/mol
Exact Mass530.32
IUPAC Name(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-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)CCCC
InChIInChI=1S/C33H42F4O/c1-12-14-15-21(3)22(4)16-17-23(5)26(8)30(34)31(35)27(9)24(6)18-19-25(7)28(10)32(36)33(37)29(11)38-20-13-2/h13,17-19,21-22H,2,6-12,14-16,20H2,1,3-5H3/b19-18-,23-17+,31-30-,33-32-
InChIKeyQDFPQVYZDMFGEM-SUGDTDCUSA-N
XLogP11.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.69
LogP ≤ 511.14
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-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene 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
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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
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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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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,14E)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-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-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene (CID 143772555) is (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-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-trimethyl-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-trimethyl-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)CCCC.
What is the InChIKey of (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene?
The InChIKey is QDFPQVYZDMFGEM-SUGDTDCUSA-N. The full InChI is InChI=1S/C33H42F4O/c1-12-14-15-21(3)22(4)16-17-23(5)26(8)30(34)31(35)27(9)24(6)18-19-25(7)28(10)32(36)33(37)29(11)38-20-13-2/h13,17-19,21-22H,2,6-12,14-16,20H2,1,3-5H3/b19-18-,23-17+,31-30-,33-32-.
What are the key properties of (3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-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-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene has a molecular weight of 530.69 g/mol, XLogP of 11.14, 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-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene is sourced from PubChem (CID 143772555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).