2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine

C12H14O3 — CID 67316936

IUPAC2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine
SMILESCOCC1=C(C2=COC=CO2)CCC=C1
InChIInChI=1S/C12H14O3/c1-13-8-10-4-2-3-5-11(10)12-9-14-6-7-15-12/h2,4,6-7,9H,3,5,8H2,1H3
InChIKeyDYVITTUUJJQCDZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.64
Rot. Bonds3

About 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine

2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine (PubChem CID 67316936) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine.

Molecular Properties

Compound Name2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine
PubChem CID67316936
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine
SMILESCOCC1=C(C2=COC=CO2)CCC=C1
InChIInChI=1S/C12H14O3/c1-13-8-10-4-2-3-5-11(10)12-9-14-6-7-15-12/h2,4,6-7,9H,3,5,8H2,1H3
InChIKeyDYVITTUUJJQCDZ-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine?
The IUPAC name of 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine (CID 67316936) is 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine.
What is the SMILES notation for 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine?
The canonical SMILES for 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine is COCC1=C(C2=COC=CO2)CCC=C1.
What is the InChIKey of 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine?
The InChIKey is DYVITTUUJJQCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-13-8-10-4-2-3-5-11(10)12-9-14-6-7-15-12/h2,4,6-7,9H,3,5,8H2,1H3.
What are the key properties of 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine?
2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine has a molecular weight of 206.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine is sourced from PubChem (CID 67316936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).