2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene

C12H26O — CID 157443730

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)(C)OC(C)(C)C
InChIInChI=1S/C8H18O.C4H8/c1-7(2,3)9-8(4,5)6;1-4(2)3/h1-6H3;1H2,2-3H3
InChIKeyBRZAERDSCQYOQN-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.18
Rot. Bonds

About 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene

2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene (PubChem CID 157443730) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene
PubChem CID157443730
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)(C)OC(C)(C)C
InChIInChI=1S/C8H18O.C4H8/c1-7(2,3)9-8(4,5)6;1-4(2)3/h1-6H3;1H2,2-3H3
InChIKeyBRZAERDSCQYOQN-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene (CID 157443730) is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene is C=C(C)C.CC(C)(C)OC(C)(C)C.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene?
The InChIKey is BRZAERDSCQYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C4H8/c1-7(2,3)9-8(4,5)6;1-4(2)3/h1-6H3;1H2,2-3H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene?
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene has a molecular weight of 186.34 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene is sourced from PubChem (CID 157443730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).