1,3-bis(ethenoxy)-2,2-dimethylpropane

C9H16O2 — CID 3019753

IUPAC1,3-bis(ethenoxy)-2,2-dimethylpropane
SMILESC=COCC(C)(C)COC=C
InChIInChI=1S/C9H16O2/c1-5-10-7-9(3,4)8-11-6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeyAITKNDQVEUUYHE-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.33
Rot. Bonds6

About 1,3-bis(ethenoxy)-2,2-dimethylpropane

1,3-bis(ethenoxy)-2,2-dimethylpropane (PubChem CID 3019753) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1,3-bis(ethenoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1,3-bis(ethenoxy)-2,2-dimethylpropane
PubChem CID3019753
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1,3-bis(ethenoxy)-2,2-dimethylpropane
SMILESC=COCC(C)(C)COC=C
InChIInChI=1S/C9H16O2/c1-5-10-7-9(3,4)8-11-6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeyAITKNDQVEUUYHE-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,3-Bis(ethenyloxy)-2,2-bis[(ethenyloxy)methyl]propane
CID 5163842
Trimethylopropane trivinyl ether
CID 21867830
1-((Z)-2-Propoxy-vinyloxy)-propane
CID 57293462
Ethenoxyethane;1-ethenoxy-2-methylpropane
CID 19098017
1,3-Dipropenoxy-2,2-dimethylpropane
CID 57247861
2-methyl-2-[(Z)-2-[(2-methylpropan-2-yl)oxy]ethenoxy]propane
CID 58200167
1,3-Bis(ethenoxy)-2-(ethenoxymethyl)-2-methylpropane
CID 21943770
1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane
CID 12768836
1-[(E)-2-propoxyethenoxy]propane
CID 22152034
2-methyl-2-[(E)-2-[(2-methylpropan-2-yl)oxy]ethenoxy]propane
CID 12388022
6,6-Dimethyl-5,7-dihydro-1,4-dioxepine
CID 14597946
Ethenoxyethane;1-ethenoxypropane
CID 18522877

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenoxy)-2,2-dimethylpropane?
The IUPAC name of 1,3-bis(ethenoxy)-2,2-dimethylpropane (CID 3019753) is 1,3-bis(ethenoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1,3-bis(ethenoxy)-2,2-dimethylpropane?
The canonical SMILES for 1,3-bis(ethenoxy)-2,2-dimethylpropane is C=COCC(C)(C)COC=C.
What is the InChIKey of 1,3-bis(ethenoxy)-2,2-dimethylpropane?
The InChIKey is AITKNDQVEUUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-10-7-9(3,4)8-11-6-2/h5-6H,1-2,7-8H2,3-4H3.
What are the key properties of 1,3-bis(ethenoxy)-2,2-dimethylpropane?
1,3-bis(ethenoxy)-2,2-dimethylpropane has a molecular weight of 156.22 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenoxy)-2,2-dimethylpropane is sourced from PubChem (CID 3019753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).