3,3-dimethyl-2-propan-2-yloxetane

C8H16O — CID 11083907

IUPAC3,3-dimethyl-2-propan-2-yloxetane
SMILESCC(C)C1OCC1(C)C
InChIInChI=1S/C8H16O/c1-6(2)7-8(3,4)5-9-7/h6-7H,5H2,1-4H3
InChIKeyWCXULMPUQQZDSJ-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.07
Rot. Bonds1

About 3,3-dimethyl-2-propan-2-yloxetane

3,3-dimethyl-2-propan-2-yloxetane (PubChem CID 11083907) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3,3-dimethyl-2-propan-2-yloxetane.

Molecular Properties

Compound Name3,3-dimethyl-2-propan-2-yloxetane
PubChem CID11083907
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3,3-dimethyl-2-propan-2-yloxetane
SMILESCC(C)C1OCC1(C)C
InChIInChI=1S/C8H16O/c1-6(2)7-8(3,4)5-9-7/h6-7H,5H2,1-4H3
InChIKeyWCXULMPUQQZDSJ-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
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-dimethyl-2-propan-2-yloxetane?
The IUPAC name of 3,3-dimethyl-2-propan-2-yloxetane (CID 11083907) is 3,3-dimethyl-2-propan-2-yloxetane.
What is the SMILES notation for 3,3-dimethyl-2-propan-2-yloxetane?
The canonical SMILES for 3,3-dimethyl-2-propan-2-yloxetane is CC(C)C1OCC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-propan-2-yloxetane?
The InChIKey is WCXULMPUQQZDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)7-8(3,4)5-9-7/h6-7H,5H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-propan-2-yloxetane?
3,3-dimethyl-2-propan-2-yloxetane has a molecular weight of 128.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propan-2-yloxetane is sourced from PubChem (CID 11083907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).