3,3-diethyloxane

C9H18O — CID 89223774

IUPAC3,3-diethyloxane
SMILESCCC1(CC)CCCOC1
InChIInChI=1S/C9H18O/c1-3-9(4-2)6-5-7-10-8-9/h3-8H2,1-2H3
InChIKeyLYOUNTSDSRBOLU-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds2

About 3,3-diethyloxane

3,3-diethyloxane (PubChem CID 89223774) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3,3-diethyloxane.

Molecular Properties

Compound Name3,3-diethyloxane
PubChem CID89223774
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3,3-diethyloxane
SMILESCCC1(CC)CCCOC1
InChIInChI=1S/C9H18O/c1-3-9(4-2)6-5-7-10-8-9/h3-8H2,1-2H3
InChIKeyLYOUNTSDSRBOLU-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyloxane?
The IUPAC name of 3,3-diethyloxane (CID 89223774) is 3,3-diethyloxane.
What is the SMILES notation for 3,3-diethyloxane?
The canonical SMILES for 3,3-diethyloxane is CCC1(CC)CCCOC1.
What is the InChIKey of 3,3-diethyloxane?
The InChIKey is LYOUNTSDSRBOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-9(4-2)6-5-7-10-8-9/h3-8H2,1-2H3.
What are the key properties of 3,3-diethyloxane?
3,3-diethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyloxane is sourced from PubChem (CID 89223774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).