3-(2-methylpropyl)oxetane

C7H14O — CID 20782671

IUPAC3-(2-methylpropyl)oxetane
SMILESCC(C)CC1COC1
InChIInChI=1S/C7H14O/c1-6(2)3-7-4-8-5-7/h6-7H,3-5H2,1-2H3
InChIKeyQHQGPFZLVBBRAD-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.68
Rot. Bonds2

About 3-(2-methylpropyl)oxetane

3-(2-methylpropyl)oxetane (PubChem CID 20782671) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-(2-methylpropyl)oxetane.

Molecular Properties

Compound Name3-(2-methylpropyl)oxetane
PubChem CID20782671
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3-(2-methylpropyl)oxetane
SMILESCC(C)CC1COC1
InChIInChI=1S/C7H14O/c1-6(2)3-7-4-8-5-7/h6-7H,3-5H2,1-2H3
InChIKeyQHQGPFZLVBBRAD-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Oxetane, 3-methyl-3-propyl
CID 529341
2-Isopropyloxetane
CID 537236
2-Ethyl-3-methyloxetane
CID 40894
1-Fluoro-3-(methoxymethyl)-1-methylcyclobutane
CID 117680376
3-Fluoro-3-(2-methylpropyl)oxetane
CID 126705505
3-Fluoro-3-propyloxetane
CID 130332478
3-(1,1-Difluoropropyl)oxetane
CID 142492886
3-(1,1-Difluoro-2-methylpropyl)oxetane
CID 156846479
2-Fluoro-3-(2-methylpropyl)oxetane
CID 166560546
Oxetane, 3-ethyl
CID 529308
1-Methoxy-2-methylpentane
CID 19906894
1-Methoxy-4-methylpentane
CID 12885796

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)oxetane?
The IUPAC name of 3-(2-methylpropyl)oxetane (CID 20782671) is 3-(2-methylpropyl)oxetane.
What is the SMILES notation for 3-(2-methylpropyl)oxetane?
The canonical SMILES for 3-(2-methylpropyl)oxetane is CC(C)CC1COC1.
What is the InChIKey of 3-(2-methylpropyl)oxetane?
The InChIKey is QHQGPFZLVBBRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6(2)3-7-4-8-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)oxetane?
3-(2-methylpropyl)oxetane has a molecular weight of 114.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)oxetane is sourced from PubChem (CID 20782671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).