3,3-diethyloxolane

C8H16O — CID 89018389

IUPAC3,3-diethyloxolane
SMILESCCC1(CC)CCOC1
InChIInChI=1S/C8H16O/c1-3-8(4-2)5-6-9-7-8/h3-7H2,1-2H3
InChIKeyPPVZAMMUBCHBDQ-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds2

About 3,3-diethyloxolane

3,3-diethyloxolane (PubChem CID 89018389) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 3,3-diethyloxolane.

Molecular Properties

Compound Name3,3-diethyloxolane
PubChem CID89018389
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name3,3-diethyloxolane
SMILESCCC1(CC)CCOC1
InChIInChI=1S/C8H16O/c1-3-8(4-2)5-6-9-7-8/h3-7H2,1-2H3
InChIKeyPPVZAMMUBCHBDQ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyloxolane?
The IUPAC name of 3,3-diethyloxolane (CID 89018389) is 3,3-diethyloxolane.
What is the SMILES notation for 3,3-diethyloxolane?
The canonical SMILES for 3,3-diethyloxolane is CCC1(CC)CCOC1.
What is the InChIKey of 3,3-diethyloxolane?
The InChIKey is PPVZAMMUBCHBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-8(4-2)5-6-9-7-8/h3-7H2,1-2H3.
What are the key properties of 3,3-diethyloxolane?
3,3-diethyloxolane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyloxolane is sourced from PubChem (CID 89018389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).