3-ethenyl-5-hexyl-2,2-dimethyloxolane

C14H26O — CID 70126022

IUPAC3-ethenyl-5-hexyl-2,2-dimethyloxolane
SMILESC=CC1CC(CCCCCC)OC1(C)C
InChIInChI=1S/C14H26O/c1-5-7-8-9-10-13-11-12(6-2)14(3,4)15-13/h6,12-13H,2,5,7-11H2,1,3-4H3
InChIKeyUIJNFEGSTQGELT-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds6

About 3-ethenyl-5-hexyl-2,2-dimethyloxolane

3-ethenyl-5-hexyl-2,2-dimethyloxolane (PubChem CID 70126022) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-ethenyl-5-hexyl-2,2-dimethyloxolane.

Molecular Properties

Compound Name3-ethenyl-5-hexyl-2,2-dimethyloxolane
PubChem CID70126022
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-ethenyl-5-hexyl-2,2-dimethyloxolane
SMILESC=CC1CC(CCCCCC)OC1(C)C
InChIInChI=1S/C14H26O/c1-5-7-8-9-10-13-11-12(6-2)14(3,4)15-13/h6,12-13H,2,5,7-11H2,1,3-4H3
InChIKeyUIJNFEGSTQGELT-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-hexyl-2,2-dimethyloxolane?
The IUPAC name of 3-ethenyl-5-hexyl-2,2-dimethyloxolane (CID 70126022) is 3-ethenyl-5-hexyl-2,2-dimethyloxolane.
What is the SMILES notation for 3-ethenyl-5-hexyl-2,2-dimethyloxolane?
The canonical SMILES for 3-ethenyl-5-hexyl-2,2-dimethyloxolane is C=CC1CC(CCCCCC)OC1(C)C.
What is the InChIKey of 3-ethenyl-5-hexyl-2,2-dimethyloxolane?
The InChIKey is UIJNFEGSTQGELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-7-8-9-10-13-11-12(6-2)14(3,4)15-13/h6,12-13H,2,5,7-11H2,1,3-4H3.
What are the key properties of 3-ethenyl-5-hexyl-2,2-dimethyloxolane?
3-ethenyl-5-hexyl-2,2-dimethyloxolane has a molecular weight of 210.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-hexyl-2,2-dimethyloxolane is sourced from PubChem (CID 70126022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).