ethane;methane;(2-methylpropan-2-yl)oxybenzene

C13H24O — CID 161423888

IUPACethane;methane;(2-methylpropan-2-yl)oxybenzene
SMILESC.CC.CC(C)(C)Oc1ccccc1
InChIInChI=1S/C10H14O.C2H6.CH4/c1-10(2,3)11-9-7-5-4-6-8-9;1-2;/h4-8H,1-3H3;1-2H3;1H4
InChIKeyVXCGEYVMYWHTAA-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.53
Rot. Bonds1

About ethane;methane;(2-methylpropan-2-yl)oxybenzene

ethane;methane;(2-methylpropan-2-yl)oxybenzene (PubChem CID 161423888) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is ethane;methane;(2-methylpropan-2-yl)oxybenzene.

Molecular Properties

Compound Nameethane;methane;(2-methylpropan-2-yl)oxybenzene
PubChem CID161423888
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Nameethane;methane;(2-methylpropan-2-yl)oxybenzene
SMILESC.CC.CC(C)(C)Oc1ccccc1
InChIInChI=1S/C10H14O.C2H6.CH4/c1-10(2,3)11-9-7-5-4-6-8-9;1-2;/h4-8H,1-3H3;1-2H3;1H4
InChIKeyVXCGEYVMYWHTAA-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
N-ethyl-2-methylpropan-2-amine;(2-methylpropan-2-yl)oxybenzene
CID 159885987
butane;ethane;methane;1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylethyl)benzene
CID 162233950
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
CID 159776182
2-iodopropan-2-yloxybenzene
CID 147876431
bromo-[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-λ4-sulfane
CID 140512605
tert-butylbenzene;tert-butylsulfanylbenzene;ethane;ethylbenzene;methane;(2-methylpropan-2-yl)oxybenzene
CID 161401929
hexafluoroarsenic(1-);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 23133025
[3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane
CID 150924917
1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 163451177
2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene
CID 167432973

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(2-methylpropan-2-yl)oxybenzene?
The IUPAC name of ethane;methane;(2-methylpropan-2-yl)oxybenzene (CID 161423888) is ethane;methane;(2-methylpropan-2-yl)oxybenzene.
What is the SMILES notation for ethane;methane;(2-methylpropan-2-yl)oxybenzene?
The canonical SMILES for ethane;methane;(2-methylpropan-2-yl)oxybenzene is C.CC.CC(C)(C)Oc1ccccc1.
What is the InChIKey of ethane;methane;(2-methylpropan-2-yl)oxybenzene?
The InChIKey is VXCGEYVMYWHTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6.CH4/c1-10(2,3)11-9-7-5-4-6-8-9;1-2;/h4-8H,1-3H3;1-2H3;1H4.
What are the key properties of ethane;methane;(2-methylpropan-2-yl)oxybenzene?
ethane;methane;(2-methylpropan-2-yl)oxybenzene has a molecular weight of 196.33 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(2-methylpropan-2-yl)oxybenzene is sourced from PubChem (CID 161423888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).