(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine

C26H40FN — CID 135295121

IUPAC(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
SMILESC=C1C(C)=CCN(CC2CCC(C)(F)CC2)/C1=C/C(=C\C)/C(CC)=C(\C)CC
InChIInChI=1S/C26H40FN/c1-8-19(4)24(10-3)23(9-2)17-25-21(6)20(5)13-16-28(25)18-22-11-14-26(7,27)15-12-22/h9,13,17,22H,6,8,10-12,14-16,18H2,1-5,7H3/b23-9+,24-19+,25-17+
InChIKeyPROKYTQIADSPQV-ADYYLRHJSA-N
MW385.61 g/mol
LogP7.69
Rot. Bonds6

About (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine

(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine (PubChem CID 135295121) has the molecular formula C26H40FN and a molecular weight of 385.61 g/mol. Its IUPAC name is (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine.

Molecular Properties

Compound Name(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
PubChem CID135295121
Molecular FormulaC26H40FN
Molecular Weight385.61 g/mol
Exact Mass385.31
IUPAC Name(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
SMILESC=C1C(C)=CCN(CC2CCC(C)(F)CC2)/C1=C/C(=C\C)/C(CC)=C(\C)CC
InChIInChI=1S/C26H40FN/c1-8-19(4)24(10-3)23(9-2)17-25-21(6)20(5)13-16-28(25)18-22-11-14-26(7,27)15-12-22/h9,13,17,22H,6,8,10-12,14-16,18H2,1-5,7H3/b23-9+,24-19+,25-17+
InChIKeyPROKYTQIADSPQV-ADYYLRHJSA-N
XLogP7.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.61
LogP ≤ 57.69
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 (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine?
The IUPAC name of (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine (CID 135295121) is (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine.
What is the SMILES notation for (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine?
The canonical SMILES for (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine is C=C1C(C)=CCN(CC2CCC(C)(F)CC2)/C1=C/C(=C\C)/C(CC)=C(\C)CC.
What is the InChIKey of (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine?
The InChIKey is PROKYTQIADSPQV-ADYYLRHJSA-N. The full InChI is InChI=1S/C26H40FN/c1-8-19(4)24(10-3)23(9-2)17-25-21(6)20(5)13-16-28(25)18-22-11-14-26(7,27)15-12-22/h9,13,17,22H,6,8,10-12,14-16,18H2,1-5,7H3/b23-9+,24-19+,25-17+.
What are the key properties of (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine?
(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine has a molecular weight of 385.61 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine is sourced from PubChem (CID 135295121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).