2-butan-2-yl-3,4-diethoxyoxolane

C12H24O3 — CID 71243430

IUPAC2-butan-2-yl-3,4-diethoxyoxolane
SMILESCCOC1COC(C(C)CC)C1OCC
InChIInChI=1S/C12H24O3/c1-5-9(4)11-12(14-7-3)10(8-15-11)13-6-2/h9-12H,5-8H2,1-4H3
InChIKeyZYEHHVGWJWCBHK-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.24
Rot. Bonds6

About 2-butan-2-yl-3,4-diethoxyoxolane

2-butan-2-yl-3,4-diethoxyoxolane (PubChem CID 71243430) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-butan-2-yl-3,4-diethoxyoxolane.

Molecular Properties

Compound Name2-butan-2-yl-3,4-diethoxyoxolane
PubChem CID71243430
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-butan-2-yl-3,4-diethoxyoxolane
SMILESCCOC1COC(C(C)CC)C1OCC
InChIInChI=1S/C12H24O3/c1-5-9(4)11-12(14-7-3)10(8-15-11)13-6-2/h9-12H,5-8H2,1-4H3
InChIKeyZYEHHVGWJWCBHK-UHFFFAOYSA-N
XLogP2.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3,4-diethoxyoxolane?
The IUPAC name of 2-butan-2-yl-3,4-diethoxyoxolane (CID 71243430) is 2-butan-2-yl-3,4-diethoxyoxolane.
What is the SMILES notation for 2-butan-2-yl-3,4-diethoxyoxolane?
The canonical SMILES for 2-butan-2-yl-3,4-diethoxyoxolane is CCOC1COC(C(C)CC)C1OCC.
What is the InChIKey of 2-butan-2-yl-3,4-diethoxyoxolane?
The InChIKey is ZYEHHVGWJWCBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-9(4)11-12(14-7-3)10(8-15-11)13-6-2/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-butan-2-yl-3,4-diethoxyoxolane?
2-butan-2-yl-3,4-diethoxyoxolane has a molecular weight of 216.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3,4-diethoxyoxolane is sourced from PubChem (CID 71243430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).