3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane

C13H22O — CID 69236841

IUPAC3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane
SMILESCC1=CCC(C2CCCOC2)C1(C)C
InChIInChI=1S/C13H22O/c1-10-6-7-12(13(10,2)3)11-5-4-8-14-9-11/h6,11-12H,4-5,7-9H2,1-3H3
InChIKeyGHBNSGVWYISNOW-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.41
Rot. Bonds1

About 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane

3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane (PubChem CID 69236841) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane.

Molecular Properties

Compound Name3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane
PubChem CID69236841
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane
SMILESCC1=CCC(C2CCCOC2)C1(C)C
InChIInChI=1S/C13H22O/c1-10-6-7-12(13(10,2)3)11-5-4-8-14-9-11/h6,11-12H,4-5,7-9H2,1-3H3
InChIKeyGHBNSGVWYISNOW-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.41
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 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane?
The IUPAC name of 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane (CID 69236841) is 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane.
What is the SMILES notation for 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane?
The canonical SMILES for 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane is CC1=CCC(C2CCCOC2)C1(C)C.
What is the InChIKey of 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane?
The InChIKey is GHBNSGVWYISNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10-6-7-12(13(10,2)3)11-5-4-8-14-9-11/h6,11-12H,4-5,7-9H2,1-3H3.
What are the key properties of 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane?
3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane has a molecular weight of 194.32 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane is sourced from PubChem (CID 69236841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).