3,4-diethyloxane

C9H18O — CID 21354353

IUPAC3,4-diethyloxane
SMILESCCC1CCOCC1CC
InChIInChI=1S/C9H18O/c1-3-8-5-6-10-7-9(8)4-2/h8-9H,3-7H2,1-2H3
InChIKeyRYIVMXFLNDAJRC-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds2

About 3,4-diethyloxane

3,4-diethyloxane (PubChem CID 21354353) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3,4-diethyloxane.

Molecular Properties

Compound Name3,4-diethyloxane
PubChem CID21354353
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3,4-diethyloxane
SMILESCCC1CCOCC1CC
InChIInChI=1S/C9H18O/c1-3-8-5-6-10-7-9(8)4-2/h8-9H,3-7H2,1-2H3
InChIKeyRYIVMXFLNDAJRC-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyloxane?
The IUPAC name of 3,4-diethyloxane (CID 21354353) is 3,4-diethyloxane.
What is the SMILES notation for 3,4-diethyloxane?
The canonical SMILES for 3,4-diethyloxane is CCC1CCOCC1CC.
What is the InChIKey of 3,4-diethyloxane?
The InChIKey is RYIVMXFLNDAJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-8-5-6-10-7-9(8)4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 3,4-diethyloxane?
3,4-diethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyloxane is sourced from PubChem (CID 21354353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).