2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene

C19H34F4O — CID 144809476

IUPAC2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene
SMILESC=C(CC)C(F)(F)C(F)(F)C(=C)OCC.CCC(C)CCC(C)C
InChIInChI=1S/C10H14F4O.C9H20/c1-5-7(3)9(11,12)10(13,14)8(4)15-6-2;1-5-9(4)7-6-8(2)3/h3-6H2,1-2H3;8-9H,5-7H2,1-4H3
InChIKeyKCVVANIUZIUBIN-UHFFFAOYSA-N
MW354.47 g/mol
LogP7.24
Rot. Bonds10

About 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene

2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene (PubChem CID 144809476) has the molecular formula C19H34F4O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene.

Molecular Properties

Compound Name2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene
PubChem CID144809476
Molecular FormulaC19H34F4O
Molecular Weight354.47 g/mol
Exact Mass354.25
IUPAC Name2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene
SMILESC=C(CC)C(F)(F)C(F)(F)C(=C)OCC.CCC(C)CCC(C)C
InChIInChI=1S/C10H14F4O.C9H20/c1-5-7(3)9(11,12)10(13,14)8(4)15-6-2;1-5-9(4)7-6-8(2)3/h3-6H2,1-2H3;8-9H,5-7H2,1-4H3
InChIKeyKCVVANIUZIUBIN-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.47
LogP ≤ 57.24
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-7,7,7-trifluoro-6-methyl-2-prop-1-en-2-yloxyhept-1-ene
CID 139572162
2,2-Difluoro-3,6-dimethyloctane;ethane;5-ethoxy-3-(fluoromethyl)-2-methoxyhexa-1,5-diene
CID 144328784
(7Z)-2-ethoxy-3,3,4,4-tetrafluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,7-diene
CID 144809455
Ethene;3,3,4,4-tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene
CID 144809464
1-(3,6-Dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane;ethane
CID 144809473
3,3,4,4-Tetrafluoro-2,6,9,10-tetramethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
CID 144809550
2,3,6-Trimethyl-1-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-en-2-yl)oxyheptane
CID 144809568
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
3,3,4,4-Tetrafluoro-2-methoxy-6,9-dimethyl-5-methylidenedec-1-ene
CID 144809465
1-(3,6-Dimethyloctan-2-yloxy)-4,4,5,5-tetrafluoro-2-methyl-3,6-dimethylidenenonane
CID 144809474
9-(3,3-Dimethylpent-1-en-2-yloxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-(trifluoromethyl)nonane
CID 158144388

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene?
The IUPAC name of 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene (CID 144809476) is 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene.
What is the SMILES notation for 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene?
The canonical SMILES for 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene is C=C(CC)C(F)(F)C(F)(F)C(=C)OCC.CCC(C)CCC(C)C.
What is the InChIKey of 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene?
The InChIKey is KCVVANIUZIUBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O.C9H20/c1-5-7(3)9(11,12)10(13,14)8(4)15-6-2;1-5-9(4)7-6-8(2)3/h3-6H2,1-2H3;8-9H,5-7H2,1-4H3.
What are the key properties of 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene?
2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene has a molecular weight of 354.47 g/mol, XLogP of 7.24, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylheptane;2-ethoxy-3,3,4,4-tetrafluoro-5-methylidenehept-1-ene is sourced from PubChem (CID 144809476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).