3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane

C12H24O2 — CID 71229130

IUPAC3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane
SMILESCCC1(COC(C)(CC)CC)COC1
InChIInChI=1S/C12H24O2/c1-5-11(4,6-2)14-10-12(7-3)8-13-9-12/h5-10H2,1-4H3
InChIKeyINYITIANANPYTO-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.01
Rot. Bonds6

About 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane

3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane (PubChem CID 71229130) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane
PubChem CID71229130
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane
SMILESCCC1(COC(C)(CC)CC)COC1
InChIInChI=1S/C12H24O2/c1-5-11(4,6-2)14-10-12(7-3)8-13-9-12/h5-10H2,1-4H3
InChIKeyINYITIANANPYTO-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane (CID 71229130) is 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane is CCC1(COC(C)(CC)CC)COC1.
What is the InChIKey of 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane?
The InChIKey is INYITIANANPYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-11(4,6-2)14-10-12(7-3)8-13-9-12/h5-10H2,1-4H3.
What are the key properties of 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane?
3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane has a molecular weight of 200.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(3-methylpentan-3-yloxymethyl)oxetane is sourced from PubChem (CID 71229130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).