3-(4,4-dimethylhexoxy)oxetane

C11H22O2 — CID 118595822

IUPAC3-(4,4-dimethylhexoxy)oxetane
SMILESCCC(C)(C)CCCOC1COC1
InChIInChI=1S/C11H22O2/c1-4-11(2,3)6-5-7-13-10-8-12-9-10/h10H,4-9H2,1-3H3
InChIKeyIOBXBNDCFONOPQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds6

About 3-(4,4-dimethylhexoxy)oxetane

3-(4,4-dimethylhexoxy)oxetane (PubChem CID 118595822) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-(4,4-dimethylhexoxy)oxetane.

Molecular Properties

Compound Name3-(4,4-dimethylhexoxy)oxetane
PubChem CID118595822
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-(4,4-dimethylhexoxy)oxetane
SMILESCCC(C)(C)CCCOC1COC1
InChIInChI=1S/C11H22O2/c1-4-11(2,3)6-5-7-13-10-8-12-9-10/h10H,4-9H2,1-3H3
InChIKeyIOBXBNDCFONOPQ-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylhexoxy)oxetane?
The IUPAC name of 3-(4,4-dimethylhexoxy)oxetane (CID 118595822) is 3-(4,4-dimethylhexoxy)oxetane.
What is the SMILES notation for 3-(4,4-dimethylhexoxy)oxetane?
The canonical SMILES for 3-(4,4-dimethylhexoxy)oxetane is CCC(C)(C)CCCOC1COC1.
What is the InChIKey of 3-(4,4-dimethylhexoxy)oxetane?
The InChIKey is IOBXBNDCFONOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-11(2,3)6-5-7-13-10-8-12-9-10/h10H,4-9H2,1-3H3.
What are the key properties of 3-(4,4-dimethylhexoxy)oxetane?
3-(4,4-dimethylhexoxy)oxetane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylhexoxy)oxetane is sourced from PubChem (CID 118595822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).