3,3-dimethyl-2-(2-methylpropyl)oxetane

C9H18O — CID 171398553

IUPAC3,3-dimethyl-2-(2-methylpropyl)oxetane
SMILESCC(C)CC1OCC1(C)C
InChIInChI=1S/C9H18O/c1-7(2)5-8-9(3,4)6-10-8/h7-8H,5-6H2,1-4H3
InChIKeyMCRAODXJKFBUEC-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds2

About 3,3-dimethyl-2-(2-methylpropyl)oxetane

3,3-dimethyl-2-(2-methylpropyl)oxetane (PubChem CID 171398553) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-methylpropyl)oxetane.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-methylpropyl)oxetane
PubChem CID171398553
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3,3-dimethyl-2-(2-methylpropyl)oxetane
SMILESCC(C)CC1OCC1(C)C
InChIInChI=1S/C9H18O/c1-7(2)5-8-9(3,4)6-10-8/h7-8H,5-6H2,1-4H3
InChIKeyMCRAODXJKFBUEC-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
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-(2-methylpropyl)oxetane?
The IUPAC name of 3,3-dimethyl-2-(2-methylpropyl)oxetane (CID 171398553) is 3,3-dimethyl-2-(2-methylpropyl)oxetane.
What is the SMILES notation for 3,3-dimethyl-2-(2-methylpropyl)oxetane?
The canonical SMILES for 3,3-dimethyl-2-(2-methylpropyl)oxetane is CC(C)CC1OCC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-(2-methylpropyl)oxetane?
The InChIKey is MCRAODXJKFBUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)5-8-9(3,4)6-10-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-(2-methylpropyl)oxetane?
3,3-dimethyl-2-(2-methylpropyl)oxetane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-methylpropyl)oxetane is sourced from PubChem (CID 171398553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).