2-tert-butyl-3,4,5-trimethyloxolane

C11H22O — CID 20707639

IUPAC2-tert-butyl-3,4,5-trimethyloxolane
SMILESCC1OC(C(C)(C)C)C(C)C1C
InChIInChI=1S/C11H22O/c1-7-8(2)10(11(4,5)6)12-9(7)3/h7-10H,1-6H3
InChIKeyJBAHGNDSHZPMEH-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.09
Rot. Bonds

About 2-tert-butyl-3,4,5-trimethyloxolane

2-tert-butyl-3,4,5-trimethyloxolane (PubChem CID 20707639) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-tert-butyl-3,4,5-trimethyloxolane.

Molecular Properties

Compound Name2-tert-butyl-3,4,5-trimethyloxolane
PubChem CID20707639
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-tert-butyl-3,4,5-trimethyloxolane
SMILESCC1OC(C(C)(C)C)C(C)C1C
InChIInChI=1S/C11H22O/c1-7-8(2)10(11(4,5)6)12-9(7)3/h7-10H,1-6H3
InChIKeyJBAHGNDSHZPMEH-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,5-trimethyloxolane?
The IUPAC name of 2-tert-butyl-3,4,5-trimethyloxolane (CID 20707639) is 2-tert-butyl-3,4,5-trimethyloxolane.
What is the SMILES notation for 2-tert-butyl-3,4,5-trimethyloxolane?
The canonical SMILES for 2-tert-butyl-3,4,5-trimethyloxolane is CC1OC(C(C)(C)C)C(C)C1C.
What is the InChIKey of 2-tert-butyl-3,4,5-trimethyloxolane?
The InChIKey is JBAHGNDSHZPMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-7-8(2)10(11(4,5)6)12-9(7)3/h7-10H,1-6H3.
What are the key properties of 2-tert-butyl-3,4,5-trimethyloxolane?
2-tert-butyl-3,4,5-trimethyloxolane has a molecular weight of 170.30 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4,5-trimethyloxolane is sourced from PubChem (CID 20707639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).