8-methyl-2-(trifluoromethoxy)nona-1,5-diene

C11H17F3O — CID 123239565

IUPAC8-methyl-2-(trifluoromethoxy)nona-1,5-diene
SMILESC=C(CCC=CCC(C)C)OC(F)(F)F
InChIInChI=1S/C11H17F3O/c1-9(2)7-5-4-6-8-10(3)15-11(12,13)14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyWRNCLKVEAWCUFH-UHFFFAOYSA-N
MW222.25 g/mol
LogP4.42
Rot. Bonds6

About 8-methyl-2-(trifluoromethoxy)nona-1,5-diene

8-methyl-2-(trifluoromethoxy)nona-1,5-diene (PubChem CID 123239565) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 8-methyl-2-(trifluoromethoxy)nona-1,5-diene.

Molecular Properties

Compound Name8-methyl-2-(trifluoromethoxy)nona-1,5-diene
PubChem CID123239565
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name8-methyl-2-(trifluoromethoxy)nona-1,5-diene
SMILESC=C(CCC=CCC(C)C)OC(F)(F)F
InChIInChI=1S/C11H17F3O/c1-9(2)7-5-4-6-8-10(3)15-11(12,13)14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyWRNCLKVEAWCUFH-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68330515
(6S)-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68348284
6-Methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 77487276
(5Z)-2-(trifluoromethoxy)hepta-1,5-diene
CID 88957406
(6R)-1-(difluoromethoxy)-6-methylcyclohexa-1,3-diene
CID 89339975
2-(1,1-Difluoro-3-methylhexa-1,5-dien-2-yl)oxy-1,1-difluoro-3-methylhexa-1,5-diene
CID 91051466
1,1,1-Trifluoro-6-methoxy-2,6-dimethylhept-3-ene
CID 138655078
6-Methyl-2-(trifluoromethoxy)hepta-1,5-diene
CID 142076777
ethane;(2E,4Z)-6-methyl-2-(trifluoromethoxy)hepta-2,4-diene
CID 144144519
(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene
CID 144804758
3-Ethoxy-4,4-difluoro-5-methylhex-2-ene
CID 145300812
Ethane;6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 145404920

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(trifluoromethoxy)nona-1,5-diene?
The IUPAC name of 8-methyl-2-(trifluoromethoxy)nona-1,5-diene (CID 123239565) is 8-methyl-2-(trifluoromethoxy)nona-1,5-diene.
What is the SMILES notation for 8-methyl-2-(trifluoromethoxy)nona-1,5-diene?
The canonical SMILES for 8-methyl-2-(trifluoromethoxy)nona-1,5-diene is C=C(CCC=CCC(C)C)OC(F)(F)F.
What is the InChIKey of 8-methyl-2-(trifluoromethoxy)nona-1,5-diene?
The InChIKey is WRNCLKVEAWCUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O/c1-9(2)7-5-4-6-8-10(3)15-11(12,13)14/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 8-methyl-2-(trifluoromethoxy)nona-1,5-diene?
8-methyl-2-(trifluoromethoxy)nona-1,5-diene has a molecular weight of 222.25 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(trifluoromethoxy)nona-1,5-diene is sourced from PubChem (CID 123239565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).