(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene

C23H33FO2 — CID 145122182

IUPAC(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C(/COC)C(=C)C(=C)/C(F)=C\C(=C)C(C)/C=C\C(C)CC)OC
InChIInChI=1S/C23H33FO2/c1-10-16(2)11-12-17(3)18(4)13-23(24)21(7)20(6)22(15-25-8)14-19(5)26-9/h11-14,16-17H,4-7,10,15H2,1-3,8-9H3/b12-11-,22-14-,23-13+
InChIKeyDPABSKZCQAJLMA-LIAIHIOJSA-N
MW360.51 g/mol
LogP6.48
Rot. Bonds12

About (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene

(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene (PubChem CID 145122182) has the molecular formula C23H33FO2 and a molecular weight of 360.51 g/mol. Its IUPAC name is (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene
PubChem CID145122182
Molecular FormulaC23H33FO2
Molecular Weight360.51 g/mol
Exact Mass360.25
IUPAC Name(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C(/COC)C(=C)C(=C)/C(F)=C\C(=C)C(C)/C=C\C(C)CC)OC
InChIInChI=1S/C23H33FO2/c1-10-16(2)11-12-17(3)18(4)13-23(24)21(7)20(6)22(15-25-8)14-19(5)26-9/h11-14,16-17H,4-7,10,15H2,1-3,8-9H3/b12-11-,22-14-,23-13+
InChIKeyDPABSKZCQAJLMA-LIAIHIOJSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
6-(2-Fluoro-2-methylbut-3-enoxy)-3-propan-2-ylocta-1,2,4,6-tetraene
CID 91554669
(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 126711027
3-[(2Z,4Z)-3-ethoxy-6-fluoro-4-methylhexa-2,4-dien-2-yl]oxolane
CID 132125506
(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,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
(3Z,7Z,11E,14E)-2-butoxy-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11,14-pentaene
CID 143772468
(3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11,14-pentaene
CID 143772549
(3Z,7Z,11E)-3,4,11-trifluoro-14-(2-methylbut-3-enoxy)-5,6,9,10,13-pentamethylidene-2-prop-2-enoxypentadeca-1,3,7,11-tetraene
CID 143772557
(3Z,7Z,11E)-3,4,11-trifluoro-5,6,9,10,13-pentamethylidene-14-(2-methylpropoxy)-2-propoxypentadeca-1,3,7,11-tetraene
CID 143772582
(3Z,7Z,11E,14E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14,18-hexaene
CID 143772585

Frequently Asked Questions

What is the IUPAC name of (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene?
The IUPAC name of (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene (CID 145122182) is (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene.
What is the SMILES notation for (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene?
The canonical SMILES for (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene is C=C(/C=C(/COC)C(=C)C(=C)/C(F)=C\C(=C)C(C)/C=C\C(C)CC)OC.
What is the InChIKey of (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene?
The InChIKey is DPABSKZCQAJLMA-LIAIHIOJSA-N. The full InChI is InChI=1S/C23H33FO2/c1-10-16(2)11-12-17(3)18(4)13-23(24)21(7)20(6)22(15-25-8)14-19(5)26-9/h11-14,16-17H,4-7,10,15H2,1-3,8-9H3/b12-11-,22-14-,23-13+.
What are the key properties of (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene?
(3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene has a molecular weight of 360.51 g/mol, XLogP of 6.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E,11Z)-7-fluoro-2-methoxy-4-(methoxymethyl)-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene is sourced from PubChem (CID 145122182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).