2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane

C15H26O — CID 22914101

IUPAC2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane
SMILESCC1=CCC(C2(C)COC(C)(C)C2)C1(C)C
InChIInChI=1S/C15H26O/c1-11-7-8-12(14(11,4)5)15(6)9-13(2,3)16-10-15/h7,12H,8-10H2,1-6H3
InChIKeyWPOASRFJLLWBKT-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.18
Rot. Bonds1

About 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane

2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane (PubChem CID 22914101) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane
PubChem CID22914101
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane
SMILESCC1=CCC(C2(C)COC(C)(C)C2)C1(C)C
InChIInChI=1S/C15H26O/c1-11-7-8-12(14(11,4)5)15(6)9-13(2,3)16-10-15/h7,12H,8-10H2,1-6H3
InChIKeyWPOASRFJLLWBKT-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.18
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 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane?
The IUPAC name of 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane (CID 22914101) is 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane.
What is the SMILES notation for 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane?
The canonical SMILES for 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane is CC1=CCC(C2(C)COC(C)(C)C2)C1(C)C.
What is the InChIKey of 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane?
The InChIKey is WPOASRFJLLWBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-7-8-12(14(11,4)5)15(6)9-13(2,3)16-10-15/h7,12H,8-10H2,1-6H3.
What are the key properties of 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane?
2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane has a molecular weight of 222.37 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)oxolane is sourced from PubChem (CID 22914101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).