1-[(2-methylpropan-2-yl)oxy]octane

C12H26O — CID 11769255

IUPAC1-[(2-methylpropan-2-yl)oxy]octane
SMILESCCCCCCCCOC(C)(C)C
InChIInChI=1S/C12H26O/c1-5-6-7-8-9-10-11-13-12(2,3)4/h5-11H2,1-4H3
InChIKeyDXJWXUJMLBHMHP-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.16
Rot. Bonds7

About 1-[(2-methylpropan-2-yl)oxy]octane

1-[(2-methylpropan-2-yl)oxy]octane (PubChem CID 11769255) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]octane.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]octane
PubChem CID11769255
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name1-[(2-methylpropan-2-yl)oxy]octane
SMILESCCCCCCCCOC(C)(C)C
InChIInChI=1S/C12H26O/c1-5-6-7-8-9-10-11-13-12(2,3)4/h5-11H2,1-4H3
InChIKeyDXJWXUJMLBHMHP-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.16
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 1-[(2-methylpropan-2-yl)oxy]octane?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]octane (CID 11769255) is 1-[(2-methylpropan-2-yl)oxy]octane.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]octane?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]octane is CCCCCCCCOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]octane?
The InChIKey is DXJWXUJMLBHMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-6-7-8-9-10-11-13-12(2,3)4/h5-11H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]octane?
1-[(2-methylpropan-2-yl)oxy]octane has a molecular weight of 186.34 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]octane is sourced from PubChem (CID 11769255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).