5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane

C15H26O2 — CID 91748591

IUPAC5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane
SMILESC=CC1(C)CCC(C(C)C2CCC(C)(C)O2)O1
InChIInChI=1S/C15H26O2/c1-6-15(5)10-8-13(17-15)11(2)12-7-9-14(3,4)16-12/h6,11-13H,1,7-10H2,2-5H3
InChIKeyMWVSMYWOHUWFCW-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.70
Rot. Bonds3

About 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane

5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane (PubChem CID 91748591) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane.

Molecular Properties

Compound Name5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane
PubChem CID91748591
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane
SMILESC=CC1(C)CCC(C(C)C2CCC(C)(C)O2)O1
InChIInChI=1S/C15H26O2/c1-6-15(5)10-8-13(17-15)11(2)12-7-9-14(3,4)16-12/h6,11-13H,1,7-10H2,2-5H3
InChIKeyMWVSMYWOHUWFCW-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane?
The IUPAC name of 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane (CID 91748591) is 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane.
What is the SMILES notation for 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane?
The canonical SMILES for 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane is C=CC1(C)CCC(C(C)C2CCC(C)(C)O2)O1.
What is the InChIKey of 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane?
The InChIKey is MWVSMYWOHUWFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5)10-8-13(17-15)11(2)12-7-9-14(3,4)16-12/h6,11-13H,1,7-10H2,2-5H3.
What are the key properties of 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane?
5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane has a molecular weight of 238.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5,5-dimethyloxolan-2-yl)ethyl]-2-ethenyl-2-methyloxolane is sourced from PubChem (CID 91748591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).