(2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene

C21H33F — CID 166907373

IUPAC(2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene
SMILESC=C(/C=C(\C)C(C)(C)F)C(=C\CC)/C=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C21H33F/c1-10-12-18(15-19(13-11-2)20(5,6)7)16(3)14-17(4)21(8,9)22/h11-15H,3,10H2,1-2,4-9H3/b13-11-,17-14+,18-12-,19-15+
InChIKeyRZIKONNKJRCCMQ-QUBGCYNMSA-N
MW304.49 g/mol
LogP7.12
Rot. Bonds6

About (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene

(2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene (PubChem CID 166907373) has the molecular formula C21H33F and a molecular weight of 304.49 g/mol. Its IUPAC name is (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene.

Molecular Properties

Compound Name(2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene
PubChem CID166907373
Molecular FormulaC21H33F
Molecular Weight304.49 g/mol
Exact Mass304.26
IUPAC Name(2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene
SMILESC=C(/C=C(\C)C(C)(C)F)C(=C\CC)/C=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C21H33F/c1-10-12-18(15-19(13-11-2)20(5,6)7)16(3)14-17(4)21(8,9)22/h11-15H,3,10H2,1-2,4-9H3/b13-11-,17-14+,18-12-,19-15+
InChIKeyRZIKONNKJRCCMQ-QUBGCYNMSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.49
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene?
The IUPAC name of (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene (CID 166907373) is (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene.
What is the SMILES notation for (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene?
The canonical SMILES for (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene is C=C(/C=C(\C)C(C)(C)F)C(=C\CC)/C=C(\C=C/C)C(C)(C)C.
What is the InChIKey of (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene?
The InChIKey is RZIKONNKJRCCMQ-QUBGCYNMSA-N. The full InChI is InChI=1S/C21H33F/c1-10-12-18(15-19(13-11-2)20(5,6)7)16(3)14-17(4)21(8,9)22/h11-15H,3,10H2,1-2,4-9H3/b13-11-,17-14+,18-12-,19-15+.
What are the key properties of (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene?
(2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene has a molecular weight of 304.49 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z,8E)-4-tert-butyl-10-fluoro-9,10-dimethyl-7-methylidene-6-propylideneundeca-2,4,8-triene is sourced from PubChem (CID 166907373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).