2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine

C11H16O2 — CID 156792165

IUPAC2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
SMILESC=CC1=C(C=C)OCC(C)(C)CO1
InChIInChI=1S/C11H16O2/c1-5-9-10(6-2)13-8-11(3,4)7-12-9/h5-6H,1-2,7-8H2,3-4H3
InChIKeyDIAODFTVJRJZID-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.64
Rot. Bonds2

About 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine

2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine (PubChem CID 156792165) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine.

Molecular Properties

Compound Name2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
PubChem CID156792165
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
SMILESC=CC1=C(C=C)OCC(C)(C)CO1
InChIInChI=1S/C11H16O2/c1-5-9-10(6-2)13-8-11(3,4)7-12-9/h5-6H,1-2,7-8H2,3-4H3
InChIKeyDIAODFTVJRJZID-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine?
The IUPAC name of 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine (CID 156792165) is 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine.
What is the SMILES notation for 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine?
The canonical SMILES for 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine is C=CC1=C(C=C)OCC(C)(C)CO1.
What is the InChIKey of 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine?
The InChIKey is DIAODFTVJRJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-9-10(6-2)13-8-11(3,4)7-12-9/h5-6H,1-2,7-8H2,3-4H3.
What are the key properties of 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine?
2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine has a molecular weight of 180.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine is sourced from PubChem (CID 156792165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).