4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane

C13H22O — CID 151373248

IUPAC4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane
SMILESC=CC1(C=C)CCOC(C)(C)C1(C)C
InChIInChI=1S/C13H22O/c1-7-13(8-2)9-10-14-12(5,6)11(13,3)4/h7-8H,1-2,9-10H2,3-6H3
InChIKeyOQWUTHQLYANNFA-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds2

About 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane

4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane (PubChem CID 151373248) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane.

Molecular Properties

Compound Name4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane
PubChem CID151373248
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane
SMILESC=CC1(C=C)CCOC(C)(C)C1(C)C
InChIInChI=1S/C13H22O/c1-7-13(8-2)9-10-14-12(5,6)11(13,3)4/h7-8H,1-2,9-10H2,3-6H3
InChIKeyOQWUTHQLYANNFA-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane?
The IUPAC name of 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane (CID 151373248) is 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane.
What is the SMILES notation for 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane?
The canonical SMILES for 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane is C=CC1(C=C)CCOC(C)(C)C1(C)C.
What is the InChIKey of 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane?
The InChIKey is OQWUTHQLYANNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-7-13(8-2)9-10-14-12(5,6)11(13,3)4/h7-8H,1-2,9-10H2,3-6H3.
What are the key properties of 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane?
4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane has a molecular weight of 194.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethenyl)-2,2,3,3-tetramethyloxane is sourced from PubChem (CID 151373248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).