2-butan-2-yl-3-ethyl-4-methyloxolane

C11H22O — CID 59936247

IUPAC2-butan-2-yl-3-ethyl-4-methyloxolane
SMILESCCC(C)C1OCC(C)C1CC
InChIInChI=1S/C11H22O/c1-5-8(3)11-10(6-2)9(4)7-12-11/h8-11H,5-7H2,1-4H3
InChIKeyXLRNZJSGULAWOZ-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.09
Rot. Bonds3

About 2-butan-2-yl-3-ethyl-4-methyloxolane

2-butan-2-yl-3-ethyl-4-methyloxolane (PubChem CID 59936247) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-butan-2-yl-3-ethyl-4-methyloxolane.

Molecular Properties

Compound Name2-butan-2-yl-3-ethyl-4-methyloxolane
PubChem CID59936247
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-butan-2-yl-3-ethyl-4-methyloxolane
SMILESCCC(C)C1OCC(C)C1CC
InChIInChI=1S/C11H22O/c1-5-8(3)11-10(6-2)9(4)7-12-11/h8-11H,5-7H2,1-4H3
InChIKeyXLRNZJSGULAWOZ-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane
CID 130283506
4-ethyl-3,5-dimethyloxane
CID 91432465
2-butan-2-yloxirane;methane
CID 161408982
(1R,2R,5S)-2-butan-2-yl-3,6-dioxabicyclo[3.1.0]hexane
CID 88956071
(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane
CID 91010056
2-butan-2-yl-1,3-dioxane
CID 20509708
[(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium
CID 163781231
butan-2-ol;2-methyloxirane
CID 161079441
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
CID 123963440
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
2-pentan-3-yloxirane
CID 22563957

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-ethyl-4-methyloxolane?
The IUPAC name of 2-butan-2-yl-3-ethyl-4-methyloxolane (CID 59936247) is 2-butan-2-yl-3-ethyl-4-methyloxolane.
What is the SMILES notation for 2-butan-2-yl-3-ethyl-4-methyloxolane?
The canonical SMILES for 2-butan-2-yl-3-ethyl-4-methyloxolane is CCC(C)C1OCC(C)C1CC.
What is the InChIKey of 2-butan-2-yl-3-ethyl-4-methyloxolane?
The InChIKey is XLRNZJSGULAWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-8(3)11-10(6-2)9(4)7-12-11/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-butan-2-yl-3-ethyl-4-methyloxolane?
2-butan-2-yl-3-ethyl-4-methyloxolane has a molecular weight of 170.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-ethyl-4-methyloxolane is sourced from PubChem (CID 59936247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).