2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane

C15H26O — CID 22914144

IUPAC2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane
SMILESCC1=CCC(C2CCC(C)(C)OC2)C1(C)C
InChIInChI=1S/C15H26O/c1-11-6-7-13(15(11,4)5)12-8-9-14(2,3)16-10-12/h6,12-13H,7-10H2,1-5H3
InChIKeySWIDYNOZWXREKN-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.18
Rot. Bonds1

About 2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane

2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane (PubChem CID 22914144) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane.

Molecular Properties

Compound Name2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane
PubChem CID22914144
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane
SMILESCC1=CCC(C2CCC(C)(C)OC2)C1(C)C
InChIInChI=1S/C15H26O/c1-11-6-7-13(15(11,4)5)12-8-9-14(2,3)16-10-12/h6,12-13H,7-10H2,1-5H3
InChIKeySWIDYNOZWXREKN-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-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane?
The IUPAC name of 2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane (CID 22914144) is 2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane.
What is the SMILES notation for 2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane?
The canonical SMILES for 2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane is CC1=CCC(C2CCC(C)(C)OC2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane?
The InChIKey is SWIDYNOZWXREKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-6-7-13(15(11,4)5)12-8-9-14(2,3)16-10-12/h6,12-13H,7-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane?
2,2-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane 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-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)oxane is sourced from PubChem (CID 22914144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).