(2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene

C15H24F2 — CID 130242747

IUPAC(2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene
SMILESC=C(/C(=C(C)/C=C\C)C(C)CC(F)F)C(C)C
InChIInChI=1S/C15H24F2/c1-7-8-11(4)15(13(6)10(2)3)12(5)9-14(16)17/h7-8,10,12,14H,6,9H2,1-5H3/b8-7-,15-11+
InChIKeyOLXYWEMMAPQLQK-DUSHSTMDSA-N
MW242.35 g/mol
LogP5.38
Rot. Bonds6

About (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene

(2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene (PubChem CID 130242747) has the molecular formula C15H24F2 and a molecular weight of 242.35 g/mol. Its IUPAC name is (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene
PubChem CID130242747
Molecular FormulaC15H24F2
Molecular Weight242.35 g/mol
Exact Mass242.18
IUPAC Name(2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene
SMILESC=C(/C(=C(C)/C=C\C)C(C)CC(F)F)C(C)C
InChIInChI=1S/C15H24F2/c1-7-8-11(4)15(13(6)10(2)3)12(5)9-14(16)17/h7-8,10,12,14H,6,9H2,1-5H3/b8-7-,15-11+
InChIKeyOLXYWEMMAPQLQK-DUSHSTMDSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.35
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene with MolForge

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Related Compounds

(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
CID 164597534
(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
CID 143682411
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
(8Z)-2,4,6-trimethyl-7-methylidenedeca-2,8-diene
CID 177061133
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
(4Z)-4-(4,4-difluorobutan-2-yl)-2,6-dimethylhepta-2,4-diene
CID 155183670
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene?
The IUPAC name of (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene (CID 130242747) is (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene.
What is the SMILES notation for (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene?
The canonical SMILES for (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene is C=C(/C(=C(C)/C=C\C)C(C)CC(F)F)C(C)C.
What is the InChIKey of (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene?
The InChIKey is OLXYWEMMAPQLQK-DUSHSTMDSA-N. The full InChI is InChI=1S/C15H24F2/c1-7-8-11(4)15(13(6)10(2)3)12(5)9-14(16)17/h7-8,10,12,14H,6,9H2,1-5H3/b8-7-,15-11+.
What are the key properties of (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene?
(2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene has a molecular weight of 242.35 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-8,8-difluoro-4,6-dimethyl-5-(3-methylbut-1-en-2-yl)octa-2,4-diene is sourced from PubChem (CID 130242747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).