5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine

C12H18O2 — CID 156791644

IUPAC5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine
SMILESC=CC1=C(C=C)OC(CC(C)C)CO1
InChIInChI=1S/C12H18O2/c1-5-11-12(6-2)14-10(8-13-11)7-9(3)4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyBKDLQRLNFRLUSH-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.03
Rot. Bonds4

About 5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine

5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine (PubChem CID 156791644) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine
PubChem CID156791644
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine
SMILESC=CC1=C(C=C)OC(CC(C)C)CO1
InChIInChI=1S/C12H18O2/c1-5-11-12(6-2)14-10(8-13-11)7-9(3)4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyBKDLQRLNFRLUSH-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-bis(ethenyl)-2-methyl-2,3-dihydro-1,4-dioxine
CID 142091973
1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
CID 142260505
5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane
CID 142071064
(3R)-5,6-bis(ethenyl)-3-ethyl-3,4-dihydro-2H-pyran
CID 143913732
1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane
CID 163241818
4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole
CID 139322701
2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
CID 168899023
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane
CID 158851357
3-(2-methylpropyl)oxetan-2-one
CID 23090013
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
CID 153300794
2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
CID 156792165

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine?
The IUPAC name of 5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine (CID 156791644) is 5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine is C=CC1=C(C=C)OC(CC(C)C)CO1.
What is the InChIKey of 5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine?
The InChIKey is BKDLQRLNFRLUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-11-12(6-2)14-10(8-13-11)7-9(3)4/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine?
5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine has a molecular weight of 194.27 g/mol, XLogP of 3.03, 4 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-(2-methylpropyl)-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 156791644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).