2,2,5-trimethyloxolane

C7H14O — CID 13172504

IUPAC2,2,5-trimethyloxolane
SMILESCC1CCC(C)(C)O1
InChIInChI=1S/C7H14O/c1-6-4-5-7(2,3)8-6/h6H,4-5H2,1-3H3
InChIKeyYBCWTTVQTAFTNO-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.96
Rot. Bonds

About 2,2,5-trimethyloxolane

2,2,5-trimethyloxolane (PubChem CID 13172504) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2,2,5-trimethyloxolane.

Molecular Properties

Compound Name2,2,5-trimethyloxolane
PubChem CID13172504
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2,2,5-trimethyloxolane
SMILESCC1CCC(C)(C)O1
InChIInChI=1S/C7H14O/c1-6-4-5-7(2,3)8-6/h6H,4-5H2,1-3H3
InChIKeyYBCWTTVQTAFTNO-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyloxolane?
The IUPAC name of 2,2,5-trimethyloxolane (CID 13172504) is 2,2,5-trimethyloxolane.
What is the SMILES notation for 2,2,5-trimethyloxolane?
The canonical SMILES for 2,2,5-trimethyloxolane is CC1CCC(C)(C)O1.
What is the InChIKey of 2,2,5-trimethyloxolane?
The InChIKey is YBCWTTVQTAFTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6-4-5-7(2,3)8-6/h6H,4-5H2,1-3H3.
What are the key properties of 2,2,5-trimethyloxolane?
2,2,5-trimethyloxolane has a molecular weight of 114.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyloxolane is sourced from PubChem (CID 13172504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).