2-(2,2-dimethylhexoxy)oxane;ethane

C17H38O2 — CID 142212056

IUPAC2-(2,2-dimethylhexoxy)oxane;ethane
SMILESCC.CC.CCCCC(C)(C)COC1CCCCO1
InChIInChI=1S/C13H26O2.2C2H6/c1-4-5-9-13(2,3)11-15-12-8-6-7-10-14-12;2*1-2/h12H,4-11H2,1-3H3;2*1-2H3
InChIKeyULHKPIBUHZYAKW-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.80
Rot. Bonds6

About 2-(2,2-dimethylhexoxy)oxane;ethane

2-(2,2-dimethylhexoxy)oxane;ethane (PubChem CID 142212056) has the molecular formula C17H38O2 and a molecular weight of 274.49 g/mol. Its IUPAC name is 2-(2,2-dimethylhexoxy)oxane;ethane.

Molecular Properties

Compound Name2-(2,2-dimethylhexoxy)oxane;ethane
PubChem CID142212056
Molecular FormulaC17H38O2
Molecular Weight274.49 g/mol
Exact Mass274.29
IUPAC Name2-(2,2-dimethylhexoxy)oxane;ethane
SMILESCC.CC.CCCCC(C)(C)COC1CCCCO1
InChIInChI=1S/C13H26O2.2C2H6/c1-4-5-9-13(2,3)11-15-12-8-6-7-10-14-12;2*1-2/h12H,4-11H2,1-3H3;2*1-2H3
InChIKeyULHKPIBUHZYAKW-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-6-(oxan-2-yloxy)hexan-1-amine
CID 11586665
5,5-dimethyl-6-[(2R)-oxan-2-yl]oxyhexan-1-amine
CID 129364883
6,6-dimethyl-7-[(2R)-oxan-2-yl]oxyheptanenitrile
CID 129364886
2-[2,2,13,13-tetramethyl-14-(oxan-2-yloxy)tetradecoxy]oxane;2,2,13,13-tetramethyltetradecane-1,6,9,14-tetrol
CID 159010066
2-octacosoxyoxane
CID 11214102
disodium;2-(6-bromo-2,2-dimethylhexoxy)oxane;2-[6-[5,5-dimethyl-6-(oxan-2-yloxy)hexyl]sulfanyl-2,2-dimethylhexoxy]oxane;6-(6-hydroxy-5,5-dimethylhexyl)sulfanyl-2,2-dimethylhexan-1-ol;sulfanide
CID 157116776
CID 88913892
CID 88913892
2-(4,4-dimethylpentoxy)oxane
CID 59628221
2-[(E)-hept-2-enoxy]oxane
CID 12861157
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
2-(4-methyloct-1-en-4-yloxy)oxane
CID 15877491

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhexoxy)oxane;ethane?
The IUPAC name of 2-(2,2-dimethylhexoxy)oxane;ethane (CID 142212056) is 2-(2,2-dimethylhexoxy)oxane;ethane.
What is the SMILES notation for 2-(2,2-dimethylhexoxy)oxane;ethane?
The canonical SMILES for 2-(2,2-dimethylhexoxy)oxane;ethane is CC.CC.CCCCC(C)(C)COC1CCCCO1.
What is the InChIKey of 2-(2,2-dimethylhexoxy)oxane;ethane?
The InChIKey is ULHKPIBUHZYAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.2C2H6/c1-4-5-9-13(2,3)11-15-12-8-6-7-10-14-12;2*1-2/h12H,4-11H2,1-3H3;2*1-2H3.
What are the key properties of 2-(2,2-dimethylhexoxy)oxane;ethane?
2-(2,2-dimethylhexoxy)oxane;ethane has a molecular weight of 274.49 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhexoxy)oxane;ethane is sourced from PubChem (CID 142212056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).