2-(2-ethylhexyl)oxetane

C22H44O2 — CID 158420180

IUPAC2-(2-ethylhexyl)oxetane
SMILESCCCCC(CC)CC1CCO1.CCCCC(CC)CC1CCO1
InChIInChI=1S/2C11H22O/c2*1-3-5-6-10(4-2)9-11-7-8-12-11/h2*10-11H,3-9H2,1-2H3
InChIKeyHAJXAFCRRGMOBW-UHFFFAOYSA-N
MW340.59 g/mol
LogP6.76
Rot. Bonds12

About 2-(2-ethylhexyl)oxetane

2-(2-ethylhexyl)oxetane (PubChem CID 158420180) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2-(2-ethylhexyl)oxetane.

Molecular Properties

Compound Name2-(2-ethylhexyl)oxetane
PubChem CID158420180
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name2-(2-ethylhexyl)oxetane
SMILESCCCCC(CC)CC1CCO1.CCCCC(CC)CC1CCO1
InChIInChI=1S/2C11H22O/c2*1-3-5-6-10(4-2)9-11-7-8-12-11/h2*10-11H,3-9H2,1-2H3
InChIKeyHAJXAFCRRGMOBW-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylhexadecyl)oxirane
CID 174869726
2-(9-ethylpentadecyl)oxetane
CID 173032138
1,3-bis(2-ethylhexyl)cyclohexane;oxirane
CID 88727038
(2S,5S)-5-[[(2S)-oxolan-2-yl]methyl]heptan-2-ol
CID 7095988
N-(3-ethylheptyl)-2-methyloxolan-3-amine
CID 115885895
2-(2-ethylpentyl)morpholine
CID 174709852
2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 104668425
2-(chloromethyl)-4-(2-ethylhexyl)morpholine
CID 81210479
(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
1,1,2-tris(2-ethylhexyl)cyclohexane
CID 155657580
N-(2-ethylhexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64870264
1-(oxolan-2-yl)heptan-2-ol
CID 62606693

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)oxetane?
The IUPAC name of 2-(2-ethylhexyl)oxetane (CID 158420180) is 2-(2-ethylhexyl)oxetane.
What is the SMILES notation for 2-(2-ethylhexyl)oxetane?
The canonical SMILES for 2-(2-ethylhexyl)oxetane is CCCCC(CC)CC1CCO1.CCCCC(CC)CC1CCO1.
What is the InChIKey of 2-(2-ethylhexyl)oxetane?
The InChIKey is HAJXAFCRRGMOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22O/c2*1-3-5-6-10(4-2)9-11-7-8-12-11/h2*10-11H,3-9H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)oxetane?
2-(2-ethylhexyl)oxetane has a molecular weight of 340.59 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)oxetane is sourced from PubChem (CID 158420180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).