(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene

C11H16F2 — CID 11148129

IUPAC(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
SMILESCC(C)=CCC/C(C)=C/C=C(F)F
InChIInChI=1S/C11H16F2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKeyCSVXOUZGAOOAQY-JXMROGBWSA-N
MW186.25 g/mol
LogP4.46
Rot. Bonds4

About (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene

(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene (PubChem CID 11148129) has the molecular formula C11H16F2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene.

Molecular Properties

Compound Name(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
PubChem CID11148129
Molecular FormulaC11H16F2
Molecular Weight186.25 g/mol
Exact Mass186.12
IUPAC Name(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
SMILESCC(C)=CCC/C(C)=C/C=C(F)F
InChIInChI=1S/C11H16F2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKeyCSVXOUZGAOOAQY-JXMROGBWSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5,9-dimethyldeca-2,4,8-triene
CID 73411750
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
3,7-dimethylocta-2,6-dienal
CID 8843
2-[(2Z)-3,7-dimethylocta-2,6-dienylidene]propanedinitrile
CID 21159982
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
CID 175955047
CID 175955047

Frequently Asked Questions

What is the IUPAC name of (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene?
The IUPAC name of (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene (CID 11148129) is (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene.
What is the SMILES notation for (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene?
The canonical SMILES for (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene is CC(C)=CCC/C(C)=C/C=C(F)F.
What is the InChIKey of (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene?
The InChIKey is CSVXOUZGAOOAQY-JXMROGBWSA-N. The full InChI is InChI=1S/C11H16F2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h5,7-8H,4,6H2,1-3H3/b10-7+.
What are the key properties of (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene?
(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene has a molecular weight of 186.25 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene is sourced from PubChem (CID 11148129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).