2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane

C13H28O2 — CID 134553500

IUPAC2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
SMILESCC(C)(C)COCCCCOC(C)(C)C
InChIInChI=1S/C13H28O2/c1-12(2,3)11-14-9-7-8-10-15-13(4,5)6/h7-11H2,1-6H3
InChIKeyTXZNFIONCCAPSE-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds6

About 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane

2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane (PubChem CID 134553500) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
PubChem CID134553500
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
SMILESCC(C)(C)COCCCCOC(C)(C)C
InChIInChI=1S/C13H28O2/c1-12(2,3)11-14-9-7-8-10-15-13(4,5)6/h7-11H2,1-6H3
InChIKeyTXZNFIONCCAPSE-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.64
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-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636
1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;1-(2,2-dimethylpropoxy)-4,4-dimethylpentane
CID 162057209
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
2-[2-[2-[2-[2-[2-[2-[2-[14-[(2-methylpropan-2-yl)oxy]tetradecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596860
2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595009
2-[2-[2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596591
1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
CID 134553508
1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
CID 175012315
1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
CID 4077517

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane?
The IUPAC name of 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane (CID 134553500) is 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane.
What is the SMILES notation for 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane?
The canonical SMILES for 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane is CC(C)(C)COCCCCOC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane?
The InChIKey is TXZNFIONCCAPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-12(2,3)11-14-9-7-8-10-15-13(4,5)6/h7-11H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane?
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane is sourced from PubChem (CID 134553500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).