2-ethenyl-2-ethyl-3,4,5-trimethyloxane

C12H22O — CID 58210465

IUPAC2-ethenyl-2-ethyl-3,4,5-trimethyloxane
SMILESC=CC1(CC)OCC(C)C(C)C1C
InChIInChI=1S/C12H22O/c1-6-12(7-2)11(5)10(4)9(3)8-13-12/h6,9-11H,1,7-8H2,2-5H3
InChIKeyHCSMQYWURPBSMO-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.26
Rot. Bonds2

About 2-ethenyl-2-ethyl-3,4,5-trimethyloxane

2-ethenyl-2-ethyl-3,4,5-trimethyloxane (PubChem CID 58210465) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethenyl-2-ethyl-3,4,5-trimethyloxane.

Molecular Properties

Compound Name2-ethenyl-2-ethyl-3,4,5-trimethyloxane
PubChem CID58210465
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-ethenyl-2-ethyl-3,4,5-trimethyloxane
SMILESC=CC1(CC)OCC(C)C(C)C1C
InChIInChI=1S/C12H22O/c1-6-12(7-2)11(5)10(4)9(3)8-13-12/h6,9-11H,1,7-8H2,2-5H3
InChIKeyHCSMQYWURPBSMO-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.26
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 2-ethenyl-2-ethyl-3,4,5-trimethyloxane?
The IUPAC name of 2-ethenyl-2-ethyl-3,4,5-trimethyloxane (CID 58210465) is 2-ethenyl-2-ethyl-3,4,5-trimethyloxane.
What is the SMILES notation for 2-ethenyl-2-ethyl-3,4,5-trimethyloxane?
The canonical SMILES for 2-ethenyl-2-ethyl-3,4,5-trimethyloxane is C=CC1(CC)OCC(C)C(C)C1C.
What is the InChIKey of 2-ethenyl-2-ethyl-3,4,5-trimethyloxane?
The InChIKey is HCSMQYWURPBSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-12(7-2)11(5)10(4)9(3)8-13-12/h6,9-11H,1,7-8H2,2-5H3.
What are the key properties of 2-ethenyl-2-ethyl-3,4,5-trimethyloxane?
2-ethenyl-2-ethyl-3,4,5-trimethyloxane has a molecular weight of 182.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-ethyl-3,4,5-trimethyloxane is sourced from PubChem (CID 58210465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).