2-tert-butyl-2-ethyl-5-methyloxolane

C11H22O — CID 69054578

IUPAC2-tert-butyl-2-ethyl-5-methyloxolane
SMILESCCC1(C(C)(C)C)CCC(C)O1
InChIInChI=1S/C11H22O/c1-6-11(10(3,4)5)8-7-9(2)12-11/h9H,6-8H2,1-5H3
InChIKeyMKQKPFMJOGXATL-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds1

About 2-tert-butyl-2-ethyl-5-methyloxolane

2-tert-butyl-2-ethyl-5-methyloxolane (PubChem CID 69054578) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-tert-butyl-2-ethyl-5-methyloxolane.

Molecular Properties

Compound Name2-tert-butyl-2-ethyl-5-methyloxolane
PubChem CID69054578
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-tert-butyl-2-ethyl-5-methyloxolane
SMILESCCC1(C(C)(C)C)CCC(C)O1
InChIInChI=1S/C11H22O/c1-6-11(10(3,4)5)8-7-9(2)12-11/h9H,6-8H2,1-5H3
InChIKeyMKQKPFMJOGXATL-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-2-ethyloxetane
CID 89426434
2-tert-butyl-2-ethyl-4,4-dimethyloxetane
CID 146352936
2-butyl-2-ethynyl-5-methyloxolane
CID 156644109
(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 13364433
(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane
CID 11637098
2-ethyl-2,6-dimethyl-1,3-oxathiane
CID 537059
(2R,5S)-2-ethyl-2,3,3,5-tetramethyloxolane
CID 89295957
(3S)-3-[(2S,5R)-2-tert-butyl-5-methyloxolan-2-yl]butan-2-one
CID 11564743
1-tert-butyl-1-ethylcyclopropane
CID 58798513
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
2,6,6,7-tetramethyl-10-methylidene-1-oxaspiro[4.5]decane
CID 154173726
2,6,9,10,10-pentamethyl-1-oxaspiro[4.5]decan-6-ol
CID 23346571

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-ethyl-5-methyloxolane?
The IUPAC name of 2-tert-butyl-2-ethyl-5-methyloxolane (CID 69054578) is 2-tert-butyl-2-ethyl-5-methyloxolane.
What is the SMILES notation for 2-tert-butyl-2-ethyl-5-methyloxolane?
The canonical SMILES for 2-tert-butyl-2-ethyl-5-methyloxolane is CCC1(C(C)(C)C)CCC(C)O1.
What is the InChIKey of 2-tert-butyl-2-ethyl-5-methyloxolane?
The InChIKey is MKQKPFMJOGXATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-11(10(3,4)5)8-7-9(2)12-11/h9H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-2-ethyl-5-methyloxolane?
2-tert-butyl-2-ethyl-5-methyloxolane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-ethyl-5-methyloxolane is sourced from PubChem (CID 69054578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).