2-ethenyl-3,4,5-trimethyloxolane

C9H16O — CID 21351343

IUPAC2-ethenyl-3,4,5-trimethyloxolane
SMILESC=CC1OC(C)C(C)C1C
InChIInChI=1S/C9H16O/c1-5-9-7(3)6(2)8(4)10-9/h5-9H,1H2,2-4H3
InChIKeyAMEXKSSCMASYPQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.23
Rot. Bonds1

About 2-ethenyl-3,4,5-trimethyloxolane

2-ethenyl-3,4,5-trimethyloxolane (PubChem CID 21351343) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethenyl-3,4,5-trimethyloxolane.

Molecular Properties

Compound Name2-ethenyl-3,4,5-trimethyloxolane
PubChem CID21351343
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethenyl-3,4,5-trimethyloxolane
SMILESC=CC1OC(C)C(C)C1C
InChIInChI=1S/C9H16O/c1-5-9-7(3)6(2)8(4)10-9/h5-9H,1H2,2-4H3
InChIKeyAMEXKSSCMASYPQ-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.23
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-3,4,5-trimethyloxolane?
The IUPAC name of 2-ethenyl-3,4,5-trimethyloxolane (CID 21351343) is 2-ethenyl-3,4,5-trimethyloxolane.
What is the SMILES notation for 2-ethenyl-3,4,5-trimethyloxolane?
The canonical SMILES for 2-ethenyl-3,4,5-trimethyloxolane is C=CC1OC(C)C(C)C1C.
What is the InChIKey of 2-ethenyl-3,4,5-trimethyloxolane?
The InChIKey is AMEXKSSCMASYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-9-7(3)6(2)8(4)10-9/h5-9H,1H2,2-4H3.
What are the key properties of 2-ethenyl-3,4,5-trimethyloxolane?
2-ethenyl-3,4,5-trimethyloxolane has a molecular weight of 140.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3,4,5-trimethyloxolane is sourced from PubChem (CID 21351343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).