2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine

C11H10O2 — CID 67402469

IUPAC2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESC=C1CC=CC=C1C1=COC=CO1
InChIInChI=1S/C11H10O2/c1-9-4-2-3-5-10(9)11-8-12-6-7-13-11/h2-3,5-8H,1,4H2
InChIKeyKHYSYKBOPNHYIN-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.79
Rot. Bonds1

About 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine

2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine (PubChem CID 67402469) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine.

Molecular Properties

Compound Name2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine
PubChem CID67402469
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine
SMILESC=C1CC=CC=C1C1=COC=CO1
InChIInChI=1S/C11H10O2/c1-9-4-2-3-5-10(9)11-8-12-6-7-13-11/h2-3,5-8H,1,4H2
InChIKeyKHYSYKBOPNHYIN-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1)Benzopyrano(5,4,3-cde)(1)benzopyran
CID 6451338
7-Oxabenzonorbornadiene
CID 129736041
7-Tetrahydrobenzofuran
CID 17799099
Benzo[b]pyran
CID 18378161
Dibenzo[b,d]pyran
CID 19702209
7,7a-Dihydrobenzofuran
CID 19744327
5,7-Dihydropyrano[4,3-b]pyran
CID 21666424
10aH-cycloocta[b]pyran
CID 53789986
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene
CID 54156978
2-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxine
CID 57014239
Indenonaphthopyran
CID 86654524
Dihydrodibenz[b,e]-oxepine
CID 87554976

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The IUPAC name of 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine (CID 67402469) is 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine.
What is the SMILES notation for 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The canonical SMILES for 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine is C=C1CC=CC=C1C1=COC=CO1.
What is the InChIKey of 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine?
The InChIKey is KHYSYKBOPNHYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-9-4-2-3-5-10(9)11-8-12-6-7-13-11/h2-3,5-8H,1,4H2.
What are the key properties of 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine?
2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine has a molecular weight of 174.20 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidenecyclohexa-1,3-dien-1-yl)-1,4-dioxine is sourced from PubChem (CID 67402469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).