(4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene

C35H58F2O3 — CID 145122324

IUPAC(4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene
SMILESC=C(/C=C(/OCCOC)C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C(C)CCC(C)C)CC.C=C(C)C.C=O
InChIInChI=1S/C30H48F2O2.C4H8.CH2O/c1-12-21(4)19-28(34-18-17-33-11)26(9)27(10)30(32)29(31)25(8)24(7)16-15-23(6)22(5)14-13-20(2)3;1-4(2)3;1-2/h19-20,22-24H,4,8-10,12-18H2,1-3,5-7,11H3;1H2,2-3H3;1H2/b28-19+,30-29-;;
InChIKeyRAJRYATZGPVVIK-RYWQVKMLSA-N
MW564.84 g/mol
LogP10.84
Rot. Bonds18

About (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene

(4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene (PubChem CID 145122324) has the molecular formula C35H58F2O3 and a molecular weight of 564.84 g/mol. Its IUPAC name is (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene.

Molecular Properties

Compound Name(4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene
PubChem CID145122324
Molecular FormulaC35H58F2O3
Molecular Weight564.84 g/mol
Exact Mass564.44
IUPAC Name(4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene
SMILESC=C(/C=C(/OCCOC)C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C(C)CCC(C)C)CC.C=C(C)C.C=O
InChIInChI=1S/C30H48F2O2.C4H8.CH2O/c1-12-21(4)19-28(34-18-17-33-11)26(9)27(10)30(32)29(31)25(8)24(7)16-15-23(6)22(5)14-13-20(2)3;1-4(2)3;1-2/h19-20,22-24H,4,8-10,12-18H2,1-3,5-7,11H3;1H2,2-3H3;1H2/b28-19+,30-29-;;
InChIKeyRAJRYATZGPVVIK-RYWQVKMLSA-N
XLogP10.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.84
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene?
The IUPAC name of (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene (CID 145122324) is (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene.
What is the SMILES notation for (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene?
The canonical SMILES for (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene is C=C(/C=C(/OCCOC)C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C(C)CCC(C)C)CC.C=C(C)C.C=O.
What is the InChIKey of (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene?
The InChIKey is RAJRYATZGPVVIK-RYWQVKMLSA-N. The full InChI is InChI=1S/C30H48F2O2.C4H8.CH2O/c1-12-21(4)19-28(34-18-17-33-11)26(9)27(10)30(32)29(31)25(8)24(7)16-15-23(6)22(5)14-13-20(2)3;1-4(2)3;1-2/h19-20,22-24H,4,8-10,12-18H2,1-3,5-7,11H3;1H2,2-3H3;1H2/b28-19+,30-29-;;.
What are the key properties of (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene?
(4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene has a molecular weight of 564.84 g/mol, XLogP of 10.84, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8Z)-8,9-difluoro-5-(2-methoxyethoxy)-11,14,15,18-tetramethyl-3,6,7,10-tetramethylidenenonadeca-4,8-diene;formaldehyde;2-methylprop-1-ene is sourced from PubChem (CID 145122324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).