2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane

C13H24O — CID 22914114

IUPAC2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane
SMILESCC1CC(C2CCC(C)C2(C)C)CO1
InChIInChI=1S/C13H24O/c1-9-5-6-12(13(9,3)4)11-7-10(2)14-8-11/h9-12H,5-8H2,1-4H3
InChIKeyZXPVSOWHKREHQE-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.48
Rot. Bonds1

About 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane

2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane (PubChem CID 22914114) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane.

Molecular Properties

Compound Name2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane
PubChem CID22914114
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane
SMILESCC1CC(C2CCC(C)C2(C)C)CO1
InChIInChI=1S/C13H24O/c1-9-5-6-12(13(9,3)4)11-7-10(2)14-8-11/h9-12H,5-8H2,1-4H3
InChIKeyZXPVSOWHKREHQE-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane?
The IUPAC name of 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane (CID 22914114) is 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane.
What is the SMILES notation for 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane?
The canonical SMILES for 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane is CC1CC(C2CCC(C)C2(C)C)CO1.
What is the InChIKey of 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane?
The InChIKey is ZXPVSOWHKREHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9-5-6-12(13(9,3)4)11-7-10(2)14-8-11/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane?
2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane has a molecular weight of 196.33 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,3-trimethylcyclopentyl)oxolane is sourced from PubChem (CID 22914114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).