1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane

C14H30O3 — CID 164583744

IUPAC1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
SMILESCCCCCCOCCOCCOC(C)(C)C
InChIInChI=1S/C14H30O3/c1-5-6-7-8-9-15-10-11-16-12-13-17-14(2,3)4/h5-13H2,1-4H3
InChIKeyGIRHGRMXBKWPJL-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.41
Rot. Bonds11

About 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane

1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane (PubChem CID 164583744) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane.

Molecular Properties

Compound Name1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
PubChem CID164583744
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
SMILESCCCCCCOCCOCCOC(C)(C)C
InChIInChI=1S/C14H30O3/c1-5-6-7-8-9-15-10-11-16-12-13-17-14(2,3)4/h5-13H2,1-4H3
InChIKeyGIRHGRMXBKWPJL-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
CID 134553508
1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane
CID 134366206
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane?
The IUPAC name of 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane (CID 164583744) is 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane.
What is the SMILES notation for 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane?
The canonical SMILES for 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane is CCCCCCOCCOCCOC(C)(C)C.
What is the InChIKey of 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane?
The InChIKey is GIRHGRMXBKWPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-5-6-7-8-9-15-10-11-16-12-13-17-14(2,3)4/h5-13H2,1-4H3.
What are the key properties of 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane?
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane has a molecular weight of 246.39 g/mol, XLogP of 3.41, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane is sourced from PubChem (CID 164583744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).