3-ethyl-2,5-dimethyloxolane

C8H16O — CID 13334304

IUPAC3-ethyl-2,5-dimethyloxolane
SMILESCCC1CC(C)OC1C
InChIInChI=1S/C8H16O/c1-4-8-5-6(2)9-7(8)3/h6-8H,4-5H2,1-3H3
InChIKeyQSYTUAXPUFVPDQ-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.21
Rot. Bonds1

About 3-ethyl-2,5-dimethyloxolane

3-ethyl-2,5-dimethyloxolane (PubChem CID 13334304) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethyloxolane.

Molecular Properties

Compound Name3-ethyl-2,5-dimethyloxolane
PubChem CID13334304
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-ethyl-2,5-dimethyloxolane
SMILESCCC1CC(C)OC1C
InChIInChI=1S/C8H16O/c1-4-8-5-6(2)9-7(8)3/h6-8H,4-5H2,1-3H3
InChIKeyQSYTUAXPUFVPDQ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 520942
CID 520942
CID 12476217
CID 12476217
CID 59018485
CID 59018485
CID 6432406
CID 6432406
CID 89207464
CID 89207464
CID 534776
CID 534776
CID 13334303
CID 13334303
CID 13487342
CID 13487342
CID 13896549
CID 13896549
CID 14242113
CID 14242113
CID 18965607
CID 18965607
CID 21062445
CID 21062445

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethyloxolane?
The IUPAC name of 3-ethyl-2,5-dimethyloxolane (CID 13334304) is 3-ethyl-2,5-dimethyloxolane.
What is the SMILES notation for 3-ethyl-2,5-dimethyloxolane?
The canonical SMILES for 3-ethyl-2,5-dimethyloxolane is CCC1CC(C)OC1C.
What is the InChIKey of 3-ethyl-2,5-dimethyloxolane?
The InChIKey is QSYTUAXPUFVPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-8-5-6(2)9-7(8)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-2,5-dimethyloxolane?
3-ethyl-2,5-dimethyloxolane has a molecular weight of 128.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethyloxolane is sourced from PubChem (CID 13334304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).