(2-methylpropan-2-yl)oxymethylbenzene

C11H16O — CID 561155

IUPAC(2-methylpropan-2-yl)oxymethylbenzene
SMILESCC(C)(C)OCc1ccccc1
InChIInChI=1S/C11H16O/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyTZGIRWVSWPFWBP-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.00
Rot. Bonds2

About (2-methylpropan-2-yl)oxymethylbenzene

(2-methylpropan-2-yl)oxymethylbenzene (PubChem CID 561155) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxymethylbenzene.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxymethylbenzene
PubChem CID561155
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2-methylpropan-2-yl)oxymethylbenzene
SMILESCC(C)(C)OCc1ccccc1
InChIInChI=1S/C11H16O/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyTZGIRWVSWPFWBP-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxymethylbenzene?
The IUPAC name of (2-methylpropan-2-yl)oxymethylbenzene (CID 561155) is (2-methylpropan-2-yl)oxymethylbenzene.
What is the SMILES notation for (2-methylpropan-2-yl)oxymethylbenzene?
The canonical SMILES for (2-methylpropan-2-yl)oxymethylbenzene is CC(C)(C)OCc1ccccc1.
What is the InChIKey of (2-methylpropan-2-yl)oxymethylbenzene?
The InChIKey is TZGIRWVSWPFWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxymethylbenzene?
(2-methylpropan-2-yl)oxymethylbenzene has a molecular weight of 164.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxymethylbenzene is sourced from PubChem (CID 561155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).