(2-methylpropan-2-yl)oxybenzene;propane

C13H22O — CID 169265117

IUPAC(2-methylpropan-2-yl)oxybenzene;propane
SMILESCC(C)(C)Oc1ccccc1.CCC
InChIInChI=1S/C10H14O.C3H8/c1-10(2,3)11-9-7-5-4-6-8-9;1-3-2/h4-8H,1-3H3;3H2,1-2H3
InChIKeyHXWUYKONRQESIA-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.28
Rot. Bonds1

About (2-methylpropan-2-yl)oxybenzene;propane

(2-methylpropan-2-yl)oxybenzene;propane (PubChem CID 169265117) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxybenzene;propane.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxybenzene;propane
PubChem CID169265117
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(2-methylpropan-2-yl)oxybenzene;propane
SMILESCC(C)(C)Oc1ccccc1.CCC
InChIInChI=1S/C10H14O.C3H8/c1-10(2,3)11-9-7-5-4-6-8-9;1-3-2/h4-8H,1-3H3;3H2,1-2H3
InChIKeyHXWUYKONRQESIA-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
N-ethyl-2-methylpropan-2-amine;(2-methylpropan-2-yl)oxybenzene
CID 159885987
2-phenoxybutan-2-ylphosphane
CID 89070581
butane;ethane;methane;1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylethyl)benzene
CID 162233950
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
CID 159776182
[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyl-λ3-iodanyl] ethanesulfonate
CID 139721225
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907
2-iodopropan-2-yloxybenzene
CID 147876431
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
ethane;phenoxybenzene;propane
CID 90923491

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxybenzene;propane?
The IUPAC name of (2-methylpropan-2-yl)oxybenzene;propane (CID 169265117) is (2-methylpropan-2-yl)oxybenzene;propane.
What is the SMILES notation for (2-methylpropan-2-yl)oxybenzene;propane?
The canonical SMILES for (2-methylpropan-2-yl)oxybenzene;propane is CC(C)(C)Oc1ccccc1.CCC.
What is the InChIKey of (2-methylpropan-2-yl)oxybenzene;propane?
The InChIKey is HXWUYKONRQESIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C3H8/c1-10(2,3)11-9-7-5-4-6-8-9;1-3-2/h4-8H,1-3H3;3H2,1-2H3.
What are the key properties of (2-methylpropan-2-yl)oxybenzene;propane?
(2-methylpropan-2-yl)oxybenzene;propane has a molecular weight of 194.32 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxybenzene;propane is sourced from PubChem (CID 169265117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).