(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene

C23H28F2O2 — CID 145122720

IUPAC(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
SMILESC=C(C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C(/CCOC)C(=C)OC
InChIInChI=1S/C23H28F2O2/c1-15(2)10-11-16(3)18(5)22(24)23(25)19(6)17(4)14-21(12-13-26-8)20(7)27-9/h10-11,14H,1,3-7,12-13H2,2,8-9H3/b11-10-,21-14-,23-22-
InChIKeyYHFULSSWYMGDOG-RDTLDRIKSA-N
MW374.47 g/mol
LogP6.62
Rot. Bonds12

About (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene

(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene (PubChem CID 145122720) has the molecular formula C23H28F2O2 and a molecular weight of 374.47 g/mol. Its IUPAC name is (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene.

Molecular Properties

Compound Name(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
PubChem CID145122720
Molecular FormulaC23H28F2O2
Molecular Weight374.47 g/mol
Exact Mass374.21
IUPAC Name(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
SMILESC=C(C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C(/CCOC)C(=C)OC
InChIInChI=1S/C23H28F2O2/c1-15(2)10-11-16(3)18(5)22(24)23(25)19(6)17(4)14-21(12-13-26-8)20(7)27-9/h10-11,14H,1,3-7,12-13H2,2,8-9H3/b11-10-,21-14-,23-22-
InChIKeyYHFULSSWYMGDOG-RDTLDRIKSA-N
XLogP6.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(1E)-1-fluoro-3-[(2Z,4Z)-1,1,3-trifluoro-2,5-dimethylhepta-2,4,6-trienoxy]buta-1,3-dienyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
CID 89259538
(3Z)-3,4-difluoro-2-methoxy-5-methylidene-6-(2-methylidenebutoxy)hepta-1,3-diene
CID 122479835
4-Ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875
(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 126711027
(3Z,5Z)-4-[(2Z)-2-(1-propoxyethenyl)hexa-2,5-dienoxy]-3-(trifluoromethyl)hepta-1,3,5-triene
CID 138632140
2-[(1Z,3Z)-2-methylhepta-1,3-dienoxy]-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 141875177
(3Z,7Z)-3,4-difluoro-2-methoxy-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 142297509
(3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-15-propan-2-yloxy-2-propoxypentadeca-1,3,7,11-tetraene
CID 143772363
(3Z,7Z,11E)-3,4,12-trifluoro-14-(2-methylbut-3-enoxy)-5,6,9,10,13-pentamethylidene-2-prop-2-enoxypentadeca-1,3,7,11-tetraene
CID 143772375
(3Z,7Z,11E)-3,4,12-trifluoro-2-methoxy-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene
CID 143772381
(3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene
CID 143772399
(3Z,7Z,11Z)-2-but-3-enoxy-3,4,11,12-tetrafluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)pentadeca-1,3,7,11-tetraene
CID 143772427

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
The IUPAC name of (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene (CID 145122720) is (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene.
What is the SMILES notation for (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
The canonical SMILES for (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene is C=C(C)/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(=C)/C=C(/CCOC)C(=C)OC.
What is the InChIKey of (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
The InChIKey is YHFULSSWYMGDOG-RDTLDRIKSA-N. The full InChI is InChI=1S/C23H28F2O2/c1-15(2)10-11-16(3)18(5)22(24)23(25)19(6)17(4)14-21(12-13-26-8)20(7)27-9/h10-11,14H,1,3-7,12-13H2,2,8-9H3/b11-10-,21-14-,23-22-.
What are the key properties of (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?
(3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene has a molecular weight of 374.47 g/mol, XLogP of 6.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-7,8-difluoro-2-methoxy-3-(2-methoxyethyl)-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene is sourced from PubChem (CID 145122720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).