2-butyl-2,5-dimethyloxolane

C10H20O — CID 12570319

IUPAC2-butyl-2,5-dimethyloxolane
SMILESCCCCC1(C)CCC(C)O1
InChIInChI=1S/C10H20O/c1-4-5-7-10(3)8-6-9(2)11-10/h9H,4-8H2,1-3H3
InChIKeyCQAKVJVSUDPXDY-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.13
Rot. Bonds3

About 2-butyl-2,5-dimethyloxolane

2-butyl-2,5-dimethyloxolane (PubChem CID 12570319) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-butyl-2,5-dimethyloxolane.

Molecular Properties

Compound Name2-butyl-2,5-dimethyloxolane
PubChem CID12570319
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-butyl-2,5-dimethyloxolane
SMILESCCCCC1(C)CCC(C)O1
InChIInChI=1S/C10H20O/c1-4-5-7-10(3)8-6-9(2)11-10/h9H,4-8H2,1-3H3
InChIKeyCQAKVJVSUDPXDY-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,5-dimethyloxolane?
The IUPAC name of 2-butyl-2,5-dimethyloxolane (CID 12570319) is 2-butyl-2,5-dimethyloxolane.
What is the SMILES notation for 2-butyl-2,5-dimethyloxolane?
The canonical SMILES for 2-butyl-2,5-dimethyloxolane is CCCCC1(C)CCC(C)O1.
What is the InChIKey of 2-butyl-2,5-dimethyloxolane?
The InChIKey is CQAKVJVSUDPXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-5-7-10(3)8-6-9(2)11-10/h9H,4-8H2,1-3H3.
What are the key properties of 2-butyl-2,5-dimethyloxolane?
2-butyl-2,5-dimethyloxolane has a molecular weight of 156.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,5-dimethyloxolane is sourced from PubChem (CID 12570319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).