5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene

C15H26F2O3 — CID 23237117

IUPAC5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene
SMILESC=CC(OCC)OC(COCC(C)(C)C)C(F)(F)C=C
InChIInChI=1S/C15H26F2O3/c1-7-13(19-9-3)20-12(15(16,17)8-2)10-18-11-14(4,5)6/h7-8,12-13H,1-2,9-11H2,3-6H3
InChIKeyJQJJGBXDFGAYRV-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.80
Rot. Bonds10

About 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene

5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene (PubChem CID 23237117) has the molecular formula C15H26F2O3 and a molecular weight of 292.37 g/mol. Its IUPAC name is 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene.

Molecular Properties

Compound Name5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene
PubChem CID23237117
Molecular FormulaC15H26F2O3
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene
SMILESC=CC(OCC)OC(COCC(C)(C)C)C(F)(F)C=C
InChIInChI=1S/C15H26F2O3/c1-7-13(19-9-3)20-12(15(16,17)8-2)10-18-11-14(4,5)6/h7-8,12-13H,1-2,9-11H2,3-6H3
InChIKeyJQJJGBXDFGAYRV-UHFFFAOYSA-N
XLogP3.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,5-Bis(ethenyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 67892977
4-[2-[Ethoxy(methoxy)methyl]prop-2-enoxy]-5,5,5-trifluoropent-1-ene
CID 144742153
1,1-Difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypenta-1,4-diene
CID 10635317
1,1-Difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-ene
CID 11118993
(3S)-4,4,4-trifluoro-3-[2-methoxy-2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ene
CID 147902665
(4S)-5-(methoxymethoxy)-4-prop-2-enoxypent-1-ene
CID 11977010
(4S)-4-(1-ethoxy-2-methylprop-2-enoxy)-5-(methoxymethoxy)pent-1-ene
CID 13006468

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene?
The IUPAC name of 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene (CID 23237117) is 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene.
What is the SMILES notation for 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene?
The canonical SMILES for 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene is C=CC(OCC)OC(COCC(C)(C)C)C(F)(F)C=C.
What is the InChIKey of 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene?
The InChIKey is JQJJGBXDFGAYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O3/c1-7-13(19-9-3)20-12(15(16,17)8-2)10-18-11-14(4,5)6/h7-8,12-13H,1-2,9-11H2,3-6H3.
What are the key properties of 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene?
5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene has a molecular weight of 292.37 g/mol, XLogP of 3.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropoxy)-4-(1-ethoxyprop-2-enoxy)-3,3-difluoropent-1-ene is sourced from PubChem (CID 23237117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).