3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane

C9H18O2 — CID 54100304

IUPAC3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
SMILESCC1(COC(C)(C)C)COC1
InChIInChI=1S/C9H18O2/c1-8(2,3)11-7-9(4)5-10-6-9/h5-7H2,1-4H3
InChIKeyNABQJEXMUPEIMI-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds2

About 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane

3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane (PubChem CID 54100304) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
PubChem CID54100304
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
SMILESCC1(COC(C)(C)C)COC1
InChIInChI=1S/C9H18O2/c1-8(2,3)11-7-9(4)5-10-6-9/h5-7H2,1-4H3
InChIKeyNABQJEXMUPEIMI-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The IUPAC name of 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane (CID 54100304) is 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane.
What is the SMILES notation for 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The canonical SMILES for 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane is CC1(COC(C)(C)C)COC1.
What is the InChIKey of 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
The InChIKey is NABQJEXMUPEIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2,3)11-7-9(4)5-10-6-9/h5-7H2,1-4H3.
What are the key properties of 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane?
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxetane is sourced from PubChem (CID 54100304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).