(4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine

C26H41N — CID 138656648

IUPAC(4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine
SMILESC=c1c(CCC)nc(C(/C=C\CC(CC)C(C)(C)C)=C/C)c/c1=C\CCC
InChIInChI=1S/C26H41N/c1-9-13-16-22-19-25(27-24(15-10-2)20(22)5)21(11-3)17-14-18-23(12-4)26(6,7)8/h11,14,16-17,19,23H,5,9-10,12-13,15,18H2,1-4,6-8H3/b17-14-,21-11+,22-16+
InChIKeyJMYJFDJBBUFQTE-RKONLNSSSA-N
MW367.62 g/mol
LogP6.45
Rot. Bonds9

About (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine

(4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine (PubChem CID 138656648) has the molecular formula C26H41N and a molecular weight of 367.62 g/mol. Its IUPAC name is (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine.

Molecular Properties

Compound Name(4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine
PubChem CID138656648
Molecular FormulaC26H41N
Molecular Weight367.62 g/mol
Exact Mass367.32
IUPAC Name(4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine
SMILESC=c1c(CCC)nc(C(/C=C\CC(CC)C(C)(C)C)=C/C)c/c1=C\CCC
InChIInChI=1S/C26H41N/c1-9-13-16-22-19-25(27-24(15-10-2)20(22)5)21(11-3)17-14-18-23(12-4)26(6,7)8/h11,14,16-17,19,23H,5,9-10,12-13,15,18H2,1-4,6-8H3/b17-14-,21-11+,22-16+
InChIKeyJMYJFDJBBUFQTE-RKONLNSSSA-N
XLogP6.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.45
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 (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine?
The IUPAC name of (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine (CID 138656648) is (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine.
What is the SMILES notation for (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine?
The canonical SMILES for (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine is C=c1c(CCC)nc(C(/C=C\CC(CC)C(C)(C)C)=C/C)c/c1=C\CCC.
What is the InChIKey of (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine?
The InChIKey is JMYJFDJBBUFQTE-RKONLNSSSA-N. The full InChI is InChI=1S/C26H41N/c1-9-13-16-22-19-25(27-24(15-10-2)20(22)5)21(11-3)17-14-18-23(12-4)26(6,7)8/h11,14,16-17,19,23H,5,9-10,12-13,15,18H2,1-4,6-8H3/b17-14-,21-11+,22-16+.
What are the key properties of (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine?
(4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine has a molecular weight of 367.62 g/mol, XLogP of 6.45, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine is sourced from PubChem (CID 138656648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).