(2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene

C12H20F2O — CID 143346376

IUPAC(2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene
SMILESC/C=C(\C/C=C(\C)CC(C)C)OC(F)F
InChIInChI=1S/C12H20F2O/c1-5-11(15-12(13)14)7-6-10(4)8-9(2)3/h5-6,9,12H,7-8H2,1-4H3/b10-6+,11-5+
InChIKeyKXEGMYASIJACDN-NVOKHFLUSA-N
MW218.29 g/mol
LogP4.51
Rot. Bonds6

About (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene

(2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene (PubChem CID 143346376) has the molecular formula C12H20F2O and a molecular weight of 218.29 g/mol. Its IUPAC name is (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene.

Molecular Properties

Compound Name(2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene
PubChem CID143346376
Molecular FormulaC12H20F2O
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene
SMILESC/C=C(\C/C=C(\C)CC(C)C)OC(F)F
InChIInChI=1S/C12H20F2O/c1-5-11(15-12(13)14)7-6-10(4)8-9(2)3/h5-6,9,12H,7-8H2,1-4H3/b10-6+,11-5+
InChIKeyKXEGMYASIJACDN-NVOKHFLUSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 54.51
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'}

Analyze (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-Difluoroethyl)-3,5-dimethyl-2,3-dihydrofuran
CID 89075927
2,3-Dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene
CID 91235536
4,5-Dimethyl-2-(trifluoromethoxy)oct-2-ene
CID 123447482
(2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene
CID 143344039
1-(Difluoromethoxy)-5-(2-methylpropyl)cyclohepta-1,3,5-triene
CID 143345609
(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene
CID 144804758
(4Z)-2-methoxy-4-propan-2-yl-5-(trifluoromethyl)octa-1,4-diene
CID 146393009
(6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene
CID 155470349
(E)-1,1,1-trifluoro-5-methoxy-2,6-dimethylhept-2-ene
CID 167080202
(3Z,5E)-6-(difluoromethoxy)-3-propan-2-ylhepta-1,3,5-triene
CID 169200710
2-[2-[(E)-but-2-en-2-yl]oxyethyl]-5-(trifluoromethyl)cyclohepta-1,3-diene
CID 170147141
1-Methoxy-4-(propan-2-yl)cyclohexa-1,4-diene
CID 13919448

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene?
The IUPAC name of (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene (CID 143346376) is (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene.
What is the SMILES notation for (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene?
The canonical SMILES for (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene is C/C=C(\C/C=C(\C)CC(C)C)OC(F)F.
What is the InChIKey of (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene?
The InChIKey is KXEGMYASIJACDN-NVOKHFLUSA-N. The full InChI is InChI=1S/C12H20F2O/c1-5-11(15-12(13)14)7-6-10(4)8-9(2)3/h5-6,9,12H,7-8H2,1-4H3/b10-6+,11-5+.
What are the key properties of (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene?
(2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene has a molecular weight of 218.29 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene is sourced from PubChem (CID 143346376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).