(4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene

C30H43FO — CID 145122371

IUPAC(4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/F)C(=C)C(=C)/C=C(/CCOC)C(=C)CC
InChIInChI=1S/C30H43FO/c1-12-22(4)29(17-18-32-11)19-27(9)28(10)30(31)20-26(8)25(7)16-15-24(6)23(5)14-13-21(2)3/h15-16,19-21,23H,4,6-10,12-14,17-18H2,1-3,5,11H3/b16-15-,29-19-,30-20+
InChIKeyOFDMQCCBMYONSR-BLYCPEFLSA-N
MW438.67 g/mol
LogP9.18
Rot. Bonds16

About (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene

(4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene (PubChem CID 145122371) has the molecular formula C30H43FO and a molecular weight of 438.67 g/mol. Its IUPAC name is (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene.

Molecular Properties

Compound Name(4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene
PubChem CID145122371
Molecular FormulaC30H43FO
Molecular Weight438.67 g/mol
Exact Mass438.33
IUPAC Name(4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/F)C(=C)C(=C)/C=C(/CCOC)C(=C)CC
InChIInChI=1S/C30H43FO/c1-12-22(4)29(17-18-32-11)19-27(9)28(10)30(31)20-26(8)25(7)16-15-24(6)23(5)14-13-21(2)3/h15-16,19-21,23H,4,6-10,12-14,17-18H2,1-3,5,11H3/b16-15-,29-19-,30-20+
InChIKeyOFDMQCCBMYONSR-BLYCPEFLSA-N
XLogP9.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.67
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene?
The IUPAC name of (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene (CID 145122371) is (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene.
What is the SMILES notation for (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene?
The canonical SMILES for (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene is C=C(/C=C\C(=C)C(C)CCC(C)C)C(=C)/C=C(/F)C(=C)C(=C)/C=C(/CCOC)C(=C)CC.
What is the InChIKey of (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene?
The InChIKey is OFDMQCCBMYONSR-BLYCPEFLSA-N. The full InChI is InChI=1S/C30H43FO/c1-12-22(4)29(17-18-32-11)19-27(9)28(10)30(31)20-26(8)25(7)16-15-24(6)23(5)14-13-21(2)3/h15-16,19-21,23H,4,6-10,12-14,17-18H2,1-3,5,11H3/b16-15-,29-19-,30-20+.
What are the key properties of (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene?
(4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene has a molecular weight of 438.67 g/mol, XLogP of 9.18, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E,12Z)-8-fluoro-4-(2-methoxyethyl)-15,18-dimethyl-3,6,7,10,11,14-hexamethylidenenonadeca-4,8,12-triene is sourced from PubChem (CID 145122371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).