5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane

C12H20O2 — CID 156739027

IUPAC5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane
SMILESC=CC1=C(C=C)COC(C)OC1.CC
InChIInChI=1S/C10H14O2.C2H6/c1-4-9-6-11-8(3)12-7-10(9)5-2;1-2/h4-5,8H,1-2,6-7H2,3H3;1-2H3
InChIKeyVAFHLCOWFHKKIZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds2

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

5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane (PubChem CID 156739027) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane.

Molecular Properties

Compound Name5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane
PubChem CID156739027
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane
SMILESC=CC1=C(C=C)COC(C)OC1.CC
InChIInChI=1S/C10H14O2.C2H6/c1-4-9-6-11-8(3)12-7-10(9)5-2;1-2/h4-5,8H,1-2,6-7H2,3H3;1-2H3
InChIKeyVAFHLCOWFHKKIZ-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-bis(ethenyl)-2-methyl-2,3-dihydrofuran;ethane
CID 144691925
ethane;2-methyloxirane;prop-1-ene
CID 159933828
ethane;2-methyl-1,3-dioxolan-4-one
CID 144647860
1,2-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 145377797
2-methyloxirane;bis(prop-1-ene)
CID 157154960
CID 165410063
CID 165410063
2-methyl-1,3-dioxan-5-amine
CID 20522526
ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
CID 143453691
(2S,6R)-2-methyl-6-(2-methylpropyl)-1,3-dioxepan-5-one
CID 131844299
4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine;ethane
CID 144962467
O-(5-ethenyl-3,6-dihydro-2H-pyran-4-yl)hydroxylamine
CID 89037289
2,3-dimethyl-4-prop-2-enyl-2,5-dihydrofuran
CID 15892524

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane?
The IUPAC name of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane (CID 156739027) is 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane.
What is the SMILES notation for 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane?
The canonical SMILES for 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane is C=CC1=C(C=C)COC(C)OC1.CC.
What is the InChIKey of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane?
The InChIKey is VAFHLCOWFHKKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C2H6/c1-4-9-6-11-8(3)12-7-10(9)5-2;1-2/h4-5,8H,1-2,6-7H2,3H3;1-2H3.
What are the key properties of 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane?
5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane has a molecular weight of 196.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-2-methyl-4,7-dihydro-1,3-dioxepine;ethane is sourced from PubChem (CID 156739027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).