2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine

C12H14O2 — CID 57114092

IUPAC2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine
SMILESC1=CCCC(CCC2=COC=CO2)=C1
InChIInChI=1S/C12H14O2/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-2,4,8-10H,3,5-7H2
InChIKeyJYHIWCWTNJPRSQ-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.40
Rot. Bonds3

About 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine

2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine (PubChem CID 57114092) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine.

Molecular Properties

Compound Name2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine
PubChem CID57114092
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine
SMILESC1=CCCC(CCC2=COC=CO2)=C1
InChIInChI=1S/C12H14O2/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-2,4,8-10H,3,5-7H2
InChIKeyJYHIWCWTNJPRSQ-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine?
The IUPAC name of 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine (CID 57114092) is 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine.
What is the SMILES notation for 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine?
The canonical SMILES for 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine is C1=CCCC(CCC2=COC=CO2)=C1.
What is the InChIKey of 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine?
The InChIKey is JYHIWCWTNJPRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-2,4,8-10H,3,5-7H2.
What are the key properties of 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine?
2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine has a molecular weight of 190.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexa-1,3-dien-1-ylethyl)-1,4-dioxine is sourced from PubChem (CID 57114092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).