1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane

C17H36O2 — CID 134366206

IUPAC1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane
SMILESCCCCCCCCOCC(C)(C)COC(C)(C)C
InChIInChI=1S/C17H36O2/c1-7-8-9-10-11-12-13-18-14-17(5,6)15-19-16(2,3)4/h7-15H2,1-6H3
InChIKeyCUFWKAICBGPHTI-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.20
Rot. Bonds11

About 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane

1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane (PubChem CID 134366206) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane
PubChem CID134366206
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane
SMILESCCCCCCCCOCC(C)(C)COC(C)(C)C
InChIInChI=1S/C17H36O2/c1-7-8-9-10-11-12-13-18-14-17(5,6)15-19-16(2,3)4/h7-15H2,1-6H3
InChIKeyCUFWKAICBGPHTI-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
1-(2,2-dimethyl-3-propan-2-yloxypropoxy)icosane
CID 91360431
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205
1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
CID 175012315

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane?
The IUPAC name of 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane (CID 134366206) is 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane.
What is the SMILES notation for 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane?
The canonical SMILES for 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane is CCCCCCCCOCC(C)(C)COC(C)(C)C.
What is the InChIKey of 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane?
The InChIKey is CUFWKAICBGPHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-7-8-9-10-11-12-13-18-14-17(5,6)15-19-16(2,3)4/h7-15H2,1-6H3.
What are the key properties of 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane?
1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane has a molecular weight of 272.47 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane is sourced from PubChem (CID 134366206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).