2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane

C19H32F4O — CID 144809568

IUPAC2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane
SMILESC=C(C)C(F)(F)C(F)(F)C(=C)C(C)OCC(C)C(C)CCC(C)C
InChIInChI=1S/C19H32F4O/c1-12(2)9-10-14(5)15(6)11-24-17(8)16(7)19(22,23)18(20,21)13(3)4/h12,14-15,17H,3,7,9-11H2,1-2,4-6,8H3
InChIKeyNGYXWESGERIPGZ-UHFFFAOYSA-N
MW352.46 g/mol
LogP6.50
Rot. Bonds11

About 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane

2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane (PubChem CID 144809568) has the molecular formula C19H32F4O and a molecular weight of 352.46 g/mol. Its IUPAC name is 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane.

Molecular Properties

Compound Name2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane
PubChem CID144809568
Molecular FormulaC19H32F4O
Molecular Weight352.46 g/mol
Exact Mass352.24
IUPAC Name2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane
SMILESC=C(C)C(F)(F)C(F)(F)C(=C)C(C)OCC(C)C(C)CCC(C)C
InChIInChI=1S/C19H32F4O/c1-12(2)9-10-14(5)15(6)11-24-17(8)16(7)19(22,23)18(20,21)13(3)4/h12,14-15,17H,3,7,9-11H2,1-2,4-6,8H3
InChIKeyNGYXWESGERIPGZ-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane 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

(4S)-6-(1,1-difluoroethoxy)-4-ethyl-2-methylocta-1,7-diene
CID 118964537
4-Methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)oxane
CID 144656577
1-(3,6-Dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane
CID 144809473
2,5-Dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene
CID 144809476
3,3,4,4-Tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
CID 144809529
3,3,4,4-Tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
CID 144809550
1-(3,6-Dimethylheptan-2-yloxy)-4,4,5,5-tetrafluoro-2,7,10-trimethyl-3,6-dimethylideneundecane
CID 144809571
2,5,6,10-Tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane
CID 177321425
1-(3,6-Dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane
CID 144809474
5,6-Ditert-butyl-2,2-difluoro-3-methylideneoxane
CID 161910162

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane?
The IUPAC name of 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane (CID 144809568) is 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane.
What is the SMILES notation for 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane?
The canonical SMILES for 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane is C=C(C)C(F)(F)C(F)(F)C(=C)C(C)OCC(C)C(C)CCC(C)C.
What is the InChIKey of 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane?
The InChIKey is NGYXWESGERIPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F4O/c1-12(2)9-10-14(5)15(6)11-24-17(8)16(7)19(22,23)18(20,21)13(3)4/h12,14-15,17H,3,7,9-11H2,1-2,4-6,8H3.
What are the key properties of 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane?
2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane has a molecular weight of 352.46 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane is sourced from PubChem (CID 144809568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).