2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane

C16H36O — CID 135151753

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane
SMILESCC(C)(C)OC(C)(C)C.CCCCCCCC
InChIInChI=1S/C8H18O.C8H18/c1-7(2,3)9-8(4,5)6;1-3-5-7-8-6-4-2/h1-6H3;3-8H2,1-2H3
InChIKeyOVUJDIBEBIQCJH-UHFFFAOYSA-N
MW244.46 g/mol
LogP5.97
Rot. Bonds5

About 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane

2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane (PubChem CID 135151753) has the molecular formula C16H36O and a molecular weight of 244.46 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane
PubChem CID135151753
Molecular FormulaC16H36O
Molecular Weight244.46 g/mol
Exact Mass244.28
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane
SMILESCC(C)(C)OC(C)(C)C.CCCCCCCC
InChIInChI=1S/C8H18O.C8H18/c1-7(2,3)9-8(4,5)6;1-3-5-7-8-6-4-2/h1-6H3;3-8H2,1-2H3
InChIKeyOVUJDIBEBIQCJH-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.46
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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;octane?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane (CID 135151753) is 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane is CC(C)(C)OC(C)(C)C.CCCCCCCC.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane?
The InChIKey is OVUJDIBEBIQCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C8H18/c1-7(2,3)9-8(4,5)6;1-3-5-7-8-6-4-2/h1-6H3;3-8H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane?
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane has a molecular weight of 244.46 g/mol, XLogP of 5.97, 5 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;octane is sourced from PubChem (CID 135151753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).