2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate

C14H20F6O4 — CID 162610371

IUPAC2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate
SMILESCC1CC(C(F)(F)F)(C(F)(F)F)OC1OCCOC(=O)C(C)(C)C
InChIInChI=1S/C14H20F6O4/c1-8-7-12(13(15,16)17,14(18,19)20)24-9(8)22-5-6-23-10(21)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyNVQMHBXKBGKPTG-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.84
Rot. Bonds4

About 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate

2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate (PubChem CID 162610371) has the molecular formula C14H20F6O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate
PubChem CID162610371
Molecular FormulaC14H20F6O4
Molecular Weight366.30 g/mol
Exact Mass366.13
IUPAC Name2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate
SMILESCC1CC(C(F)(F)F)(C(F)(F)F)OC1OCCOC(=O)C(C)(C)C
InChIInChI=1S/C14H20F6O4/c1-8-7-12(13(15,16)17,14(18,19)20)24-9(8)22-5-6-23-10(21)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyNVQMHBXKBGKPTG-UHFFFAOYSA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate (CID 162610371) is 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate is CC1CC(C(F)(F)F)(C(F)(F)F)OC1OCCOC(=O)C(C)(C)C.
What is the InChIKey of 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate?
The InChIKey is NVQMHBXKBGKPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O4/c1-8-7-12(13(15,16)17,14(18,19)20)24-9(8)22-5-6-23-10(21)11(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate?
2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate has a molecular weight of 366.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5,5-bis(trifluoromethyl)oxolan-2-yl]oxyethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 162610371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).