2-(2,3,3-trimethylbutoxy)oxane

C12H24O2 — CID 145356481

IUPAC2-(2,3,3-trimethylbutoxy)oxane
SMILESCC(COC1CCCCO1)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-10(12(2,3)4)9-14-11-7-5-6-8-13-11/h10-11H,5-9H2,1-4H3
InChIKeyMNMVXKKWEGGETJ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds3

About 2-(2,3,3-trimethylbutoxy)oxane

2-(2,3,3-trimethylbutoxy)oxane (PubChem CID 145356481) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(2,3,3-trimethylbutoxy)oxane.

Molecular Properties

Compound Name2-(2,3,3-trimethylbutoxy)oxane
PubChem CID145356481
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(2,3,3-trimethylbutoxy)oxane
SMILESCC(COC1CCCCO1)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-10(12(2,3)4)9-14-11-7-5-6-8-13-11/h10-11H,5-9H2,1-4H3
InChIKeyMNMVXKKWEGGETJ-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-(4-bromo-2,3-dimethylbutoxy)oxane
CID 14731941
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2-(2-methylpropoxy)oxane
CID 159580205
(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol
CID 130694780
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
2-(2-propylpentoxy)oxane
CID 175998246
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trimethylbutoxy)oxane?
The IUPAC name of 2-(2,3,3-trimethylbutoxy)oxane (CID 145356481) is 2-(2,3,3-trimethylbutoxy)oxane.
What is the SMILES notation for 2-(2,3,3-trimethylbutoxy)oxane?
The canonical SMILES for 2-(2,3,3-trimethylbutoxy)oxane is CC(COC1CCCCO1)C(C)(C)C.
What is the InChIKey of 2-(2,3,3-trimethylbutoxy)oxane?
The InChIKey is MNMVXKKWEGGETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(12(2,3)4)9-14-11-7-5-6-8-13-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(2,3,3-trimethylbutoxy)oxane?
2-(2,3,3-trimethylbutoxy)oxane has a molecular weight of 200.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trimethylbutoxy)oxane is sourced from PubChem (CID 145356481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).