3,3,5-trimethyloxane

C8H16O — CID 14671579

IUPAC3,3,5-trimethyloxane
SMILESCC1COCC(C)(C)C1
InChIInChI=1S/C8H16O/c1-7-4-8(2,3)6-9-5-7/h7H,4-6H2,1-3H3
InChIKeyPXFASAHTFTVVML-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.07
Rot. Bonds

About 3,3,5-trimethyloxane

3,3,5-trimethyloxane (PubChem CID 14671579) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 3,3,5-trimethyloxane.

Molecular Properties

Compound Name3,3,5-trimethyloxane
PubChem CID14671579
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name3,3,5-trimethyloxane
SMILESCC1COCC(C)(C)C1
InChIInChI=1S/C8H16O/c1-7-4-8(2,3)6-9-5-7/h7H,4-6H2,1-3H3
InChIKeyPXFASAHTFTVVML-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyloxane?
The IUPAC name of 3,3,5-trimethyloxane (CID 14671579) is 3,3,5-trimethyloxane.
What is the SMILES notation for 3,3,5-trimethyloxane?
The canonical SMILES for 3,3,5-trimethyloxane is CC1COCC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyloxane?
The InChIKey is PXFASAHTFTVVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7-4-8(2,3)6-9-5-7/h7H,4-6H2,1-3H3.
What are the key properties of 3,3,5-trimethyloxane?
3,3,5-trimethyloxane has a molecular weight of 128.22 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyloxane is sourced from PubChem (CID 14671579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).