4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

C12H18F6O2 — CID 550138

IUPAC4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCCCCC1OC(C(F)(F)F)(C(F)(F)F)OC1CC
InChIInChI=1S/C12H18F6O2/c1-3-5-6-7-9-8(4-2)19-10(20-9,11(13,14)15)12(16,17)18/h8-9H,3-7H2,1-2H3
InChIKeySYCHQSRRNGBAJJ-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.58
Rot. Bonds5

About 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 550138) has the molecular formula C12H18F6O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID550138
Molecular FormulaC12H18F6O2
Molecular Weight308.26 g/mol
Exact Mass308.12
IUPAC Name4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCCCCC1OC(C(F)(F)F)(C(F)(F)F)OC1CC
InChIInChI=1S/C12H18F6O2/c1-3-5-6-7-9-8(4-2)19-10(20-9,11(13,14)15)12(16,17)18/h8-9H,3-7H2,1-2H3
InChIKeySYCHQSRRNGBAJJ-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane 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-Nonanone propyleneglycol acetal
CID 246089
4-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)-1,3-dioxolan-2-one
CID 14008833
1,3-Dioxolane, 2-hexyl-2,4,5-trimethyl-
CID 21532
4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-2,2-dimethyl-1,3-dioxolane
CID 11971316
4-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]-2,2-dimethyl-1,3-dioxolane
CID 11971317
1,3-Dioxolane, 2-hexyl-2-methyl-
CID 70307
1,3-Dioxolane, 4-ethyl-5-octyl-2,2-bis(trifluoromethyl)-, trans-
CID 91694992
2-Methyl-2-nonyl-1,3-dioxolane
CID 10013506
4-Hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
2-Hexyl-2,4-dimethyl-1,3-dioxolane
CID 95400
cis-4-Pentyl-5-propyl-2,2-bis(trifluoro methyl)-1,3-dioxolane
CID 101834213
2,2-Dimethyl-4-pentyl-1,3-dioxolane
CID 12597025

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 550138) is 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CCCCCC1OC(C(F)(F)F)(C(F)(F)F)OC1CC.
What is the InChIKey of 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is SYCHQSRRNGBAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O2/c1-3-5-6-7-9-8(4-2)19-10(20-9,11(13,14)15)12(16,17)18/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 308.26 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 550138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).