2,2,5-Trimethyloxane

C8H16O — CID 12541918

IUPAC2,2,5-trimethyloxane
SMILESCC1CCC(OC1)(C)C
InChIInChI=1S/C8H16O/c1-7-4-5-8(2,3)9-6-7/h7H,4-6H2,1-3H3
InChIKeyQAVXZEDSTRHLQD-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.00
Rot. Bonds

About 2,2,5-Trimethyloxane

2,2,5-Trimethyloxane (PubChem CID 12541918) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2,2,5-trimethyloxane.

Molecular Properties

Compound Name2,2,5-Trimethyloxane
PubChem CID12541918
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2,2,5-trimethyloxane
SMILESCC1CCC(OC1)(C)C
InChIInChI=1S/C8H16O/c1-7-4-5-8(2,3)9-6-7/h7H,4-6H2,1-3H3
InChIKeyQAVXZEDSTRHLQD-UHFFFAOYSA-N
XLogP2.00
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity96

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethyloxane
CID 12395962
Tetrahydro-2,2,6-trimethyl-2H-pyran
CID 122554
3-((1,1-Dimethylethoxy)methyl)heptane
CID 545858
2,2-Dimethyl-4-prop-2-ynyloxane
CID 177798328
2,2,6,6-Tetramethyloxane
CID 12593435
2,4,6-Trimethyltetrahydropyrane
CID 13776990
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
Trimethyl oxane
CID 67859835
4-Fluoro-4-(2-methylpropyl)oxane
CID 126705509
(2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane
CID 167250613
(4R,5R)-5-fluoro-2,2,4-trimethyloxane
CID 178006213
(5S)-4-ethyl-5-fluoro-2,2-dimethyloxane
CID 178006268

Frequently Asked Questions

What is the IUPAC name of 2,2,5-Trimethyloxane?
The IUPAC name of 2,2,5-Trimethyloxane (CID 12541918) is 2,2,5-trimethyloxane.
What is the SMILES notation for 2,2,5-Trimethyloxane?
The canonical SMILES for 2,2,5-Trimethyloxane is CC1CCC(OC1)(C)C.
What is the InChIKey of 2,2,5-Trimethyloxane?
The InChIKey is QAVXZEDSTRHLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7-4-5-8(2,3)9-6-7/h7H,4-6H2,1-3H3.
What are the key properties of 2,2,5-Trimethyloxane?
2,2,5-Trimethyloxane has a molecular weight of 128.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-Trimethyloxane is sourced from PubChem (CID 12541918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).