3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane

C12H18O2 — CID 66807204

IUPAC3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane
SMILESCCC1(COC2=CC=CCC2)COC1
InChIInChI=1S/C12H18O2/c1-2-12(8-13-9-12)10-14-11-6-4-3-5-7-11/h3-4,6H,2,5,7-10H2,1H3
InChIKeyUQLRWNUXYWFRQA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds4

About 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane

3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane (PubChem CID 66807204) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane
PubChem CID66807204
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane
SMILESCCC1(COC2=CC=CCC2)COC1
InChIInChI=1S/C12H18O2/c1-2-12(8-13-9-12)10-14-11-6-4-3-5-7-11/h3-4,6H,2,5,7-10H2,1H3
InChIKeyUQLRWNUXYWFRQA-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane (CID 66807204) is 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane is CCC1(COC2=CC=CCC2)COC1.
What is the InChIKey of 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane?
The InChIKey is UQLRWNUXYWFRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-12(8-13-9-12)10-14-11-6-4-3-5-7-11/h3-4,6H,2,5,7-10H2,1H3.
What are the key properties of 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane?
3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane has a molecular weight of 194.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,3-dien-1-yloxymethyl)-3-ethyloxetane is sourced from PubChem (CID 66807204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).