2-(2,2-dimethylbutyl)oxane

C11H22O — CID 21304391

IUPAC2-(2,2-dimethylbutyl)oxane
SMILESCCC(C)(C)CC1CCCCO1
InChIInChI=1S/C11H22O/c1-4-11(2,3)9-10-7-5-6-8-12-10/h10H,4-9H2,1-3H3
InChIKeyALAKMWASPPSKBA-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds3

About 2-(2,2-dimethylbutyl)oxane

2-(2,2-dimethylbutyl)oxane (PubChem CID 21304391) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)oxane.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)oxane
PubChem CID21304391
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-(2,2-dimethylbutyl)oxane
SMILESCCC(C)(C)CC1CCCCO1
InChIInChI=1S/C11H22O/c1-4-11(2,3)9-10-7-5-6-8-12-10/h10H,4-9H2,1-3H3
InChIKeyALAKMWASPPSKBA-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
CID 18974564
Thromboxane
CID 114873
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
(2R,3S)-2-octyl-3-pentyloxane
CID 22102069
4-Fluoro-4-methyl-2-oxaspiro[5.5]undecane
CID 122380283
a-Cyclohexyltetrahydropyran
CID 15620793
CID 20849211
CID 20849211
2-Tert-butyloxane
CID 21482440

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)oxane?
The IUPAC name of 2-(2,2-dimethylbutyl)oxane (CID 21304391) is 2-(2,2-dimethylbutyl)oxane.
What is the SMILES notation for 2-(2,2-dimethylbutyl)oxane?
The canonical SMILES for 2-(2,2-dimethylbutyl)oxane is CCC(C)(C)CC1CCCCO1.
What is the InChIKey of 2-(2,2-dimethylbutyl)oxane?
The InChIKey is ALAKMWASPPSKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-11(2,3)9-10-7-5-6-8-12-10/h10H,4-9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylbutyl)oxane?
2-(2,2-dimethylbutyl)oxane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)oxane is sourced from PubChem (CID 21304391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).