2,2,3,4,4-pentamethyloxetane

C8H16O — CID 20682565

IUPAC2,2,3,4,4-pentamethyloxetane
SMILESCC1C(C)(C)OC1(C)C
InChIInChI=1S/C8H16O/c1-6-7(2,3)9-8(6,4)5/h6H,1-5H3
InChIKeyYEFQOMQMUIBURW-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.21
Rot. Bonds

About 2,2,3,4,4-pentamethyloxetane

2,2,3,4,4-pentamethyloxetane (PubChem CID 20682565) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2,2,3,4,4-pentamethyloxetane.

Molecular Properties

Compound Name2,2,3,4,4-pentamethyloxetane
PubChem CID20682565
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2,2,3,4,4-pentamethyloxetane
SMILESCC1C(C)(C)OC1(C)C
InChIInChI=1S/C8H16O/c1-6-7(2,3)9-8(6,4)5/h6H,1-5H3
InChIKeyYEFQOMQMUIBURW-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

Analyze 2,2,3,4,4-pentamethyloxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4-pentamethyloxetane?
The IUPAC name of 2,2,3,4,4-pentamethyloxetane (CID 20682565) is 2,2,3,4,4-pentamethyloxetane.
What is the SMILES notation for 2,2,3,4,4-pentamethyloxetane?
The canonical SMILES for 2,2,3,4,4-pentamethyloxetane is CC1C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,3,4,4-pentamethyloxetane?
The InChIKey is YEFQOMQMUIBURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6-7(2,3)9-8(6,4)5/h6H,1-5H3.
What are the key properties of 2,2,3,4,4-pentamethyloxetane?
2,2,3,4,4-pentamethyloxetane 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 2,2,3,4,4-pentamethyloxetane is sourced from PubChem (CID 20682565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).