2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane

C14H26O — CID 22914098

IUPAC2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane
SMILESCC1CC(C2CCC(C)C2(C)C)C(C)O1
InChIInChI=1S/C14H26O/c1-9-6-7-13(14(9,4)5)12-8-10(2)15-11(12)3/h9-13H,6-8H2,1-5H3
InChIKeyDXXWPZPHLNAZQN-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.87
Rot. Bonds1

About 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane

2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane (PubChem CID 22914098) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane.

Molecular Properties

Compound Name2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane
PubChem CID22914098
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane
SMILESCC1CC(C2CCC(C)C2(C)C)C(C)O1
InChIInChI=1S/C14H26O/c1-9-6-7-13(14(9,4)5)12-8-10(2)15-11(12)3/h9-13H,6-8H2,1-5H3
InChIKeyDXXWPZPHLNAZQN-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane?
The IUPAC name of 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane (CID 22914098) is 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane.
What is the SMILES notation for 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane?
The canonical SMILES for 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane is CC1CC(C2CCC(C)C2(C)C)C(C)O1.
What is the InChIKey of 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane?
The InChIKey is DXXWPZPHLNAZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-9-6-7-13(14(9,4)5)12-8-10(2)15-11(12)3/h9-13H,6-8H2,1-5H3.
What are the key properties of 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane?
2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane has a molecular weight of 210.36 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2,2,3-trimethylcyclopentyl)oxolane is sourced from PubChem (CID 22914098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).