2,3,4,5-tetramethyloxane

C9H18O — CID 18714557

IUPAC2,3,4,5-tetramethyloxane
SMILESCC1COC(C)C(C)C1C
InChIInChI=1S/C9H18O/c1-6-5-10-9(4)8(3)7(6)2/h6-9H,5H2,1-4H3
InChIKeyKKZLVDCCWLOEBZ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.31
Rot. Bonds

About 2,3,4,5-tetramethyloxane

2,3,4,5-tetramethyloxane (PubChem CID 18714557) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,3,4,5-tetramethyloxane.

Molecular Properties

Compound Name2,3,4,5-tetramethyloxane
PubChem CID18714557
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,3,4,5-tetramethyloxane
SMILESCC1COC(C)C(C)C1C
InChIInChI=1S/C9H18O/c1-6-5-10-9(4)8(3)7(6)2/h6-9H,5H2,1-4H3
InChIKeyKKZLVDCCWLOEBZ-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyloxane?
The IUPAC name of 2,3,4,5-tetramethyloxane (CID 18714557) is 2,3,4,5-tetramethyloxane.
What is the SMILES notation for 2,3,4,5-tetramethyloxane?
The canonical SMILES for 2,3,4,5-tetramethyloxane is CC1COC(C)C(C)C1C.
What is the InChIKey of 2,3,4,5-tetramethyloxane?
The InChIKey is KKZLVDCCWLOEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-5-10-9(4)8(3)7(6)2/h6-9H,5H2,1-4H3.
What are the key properties of 2,3,4,5-tetramethyloxane?
2,3,4,5-tetramethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyloxane is sourced from PubChem (CID 18714557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).