2,2,3-trimethyloxane

C8H16O — CID 67859835

IUPAC2,2,3-trimethyloxane
SMILESCC1CCCOC1(C)C
InChIInChI=1S/C8H16O/c1-7-5-4-6-9-8(7,2)3/h7H,4-6H2,1-3H3
InChIKeyPIAFISYXERITQD-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.21
Rot. Bonds

About 2,2,3-trimethyloxane

2,2,3-trimethyloxane (PubChem CID 67859835) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2,2,3-trimethyloxane.

Molecular Properties

Compound Name2,2,3-trimethyloxane
PubChem CID67859835
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2,2,3-trimethyloxane
SMILESCC1CCCOC1(C)C
InChIInChI=1S/C8H16O/c1-7-5-4-6-9-8(7,2)3/h7H,4-6H2,1-3H3
InChIKeyPIAFISYXERITQD-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyloxane?
The IUPAC name of 2,2,3-trimethyloxane (CID 67859835) is 2,2,3-trimethyloxane.
What is the SMILES notation for 2,2,3-trimethyloxane?
The canonical SMILES for 2,2,3-trimethyloxane is CC1CCCOC1(C)C.
What is the InChIKey of 2,2,3-trimethyloxane?
The InChIKey is PIAFISYXERITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7-5-4-6-9-8(7,2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2,2,3-trimethyloxane?
2,2,3-trimethyloxane has a molecular weight of 128.21 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyloxane is sourced from PubChem (CID 67859835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).