2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane

C13H28O2 — CID 162034273

IUPAC2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
SMILESCC(CC(C)(C)C)OCCOC(C)(C)C
InChIInChI=1S/C13H28O2/c1-11(10-12(2,3)4)14-8-9-15-13(5,6)7/h11H,8-10H2,1-7H3
InChIKeyVOIOBRARUIIKGT-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds5

About 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane

2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane (PubChem CID 162034273) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
PubChem CID162034273
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
SMILESCC(CC(C)(C)C)OCCOC(C)(C)C
InChIInChI=1S/C13H28O2/c1-11(10-12(2,3)4)14-8-9-15-13(5,6)7/h11H,8-10H2,1-7H3
InChIKeyVOIOBRARUIIKGT-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine
CID 112589746
2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine
CID 138567523
N-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112590002
ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate
CID 112589158
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
CID 103939578
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 112590123
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112589849
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile
CID 112587638
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanehydrazide
CID 112590279
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
4,4-dimethyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-yloxy]pent-2-yne
CID 165380005

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane?
The IUPAC name of 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane (CID 162034273) is 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane.
What is the SMILES notation for 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane?
The canonical SMILES for 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane is CC(CC(C)(C)C)OCCOC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane?
The InChIKey is VOIOBRARUIIKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-11(10-12(2,3)4)14-8-9-15-13(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane?
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane is sourced from PubChem (CID 162034273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).