3-ethyl-3-(2-ethylhexyl)-2-methyloxetane

C14H28O — CID 142742741

IUPAC3-ethyl-3-(2-ethylhexyl)-2-methyloxetane
SMILESCCCCC(CC)CC1(CC)COC1C
InChIInChI=1S/C14H28O/c1-5-8-9-13(6-2)10-14(7-3)11-15-12(14)4/h12-13H,5-11H2,1-4H3
InChIKeyGGCQQNFHARJPTB-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.41
Rot. Bonds7

About 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane

3-ethyl-3-(2-ethylhexyl)-2-methyloxetane (PubChem CID 142742741) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane.

Molecular Properties

Compound Name3-ethyl-3-(2-ethylhexyl)-2-methyloxetane
PubChem CID142742741
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name3-ethyl-3-(2-ethylhexyl)-2-methyloxetane
SMILESCCCCC(CC)CC1(CC)COC1C
InChIInChI=1S/C14H28O/c1-5-8-9-13(6-2)10-14(7-3)11-15-12(14)4/h12-13H,5-11H2,1-4H3
InChIKeyGGCQQNFHARJPTB-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane?
The IUPAC name of 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane (CID 142742741) is 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane.
What is the SMILES notation for 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane?
The canonical SMILES for 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane is CCCCC(CC)CC1(CC)COC1C.
What is the InChIKey of 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane?
The InChIKey is GGCQQNFHARJPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-8-9-13(6-2)10-14(7-3)11-15-12(14)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane?
3-ethyl-3-(2-ethylhexyl)-2-methyloxetane has a molecular weight of 212.38 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-ethylhexyl)-2-methyloxetane is sourced from PubChem (CID 142742741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).