3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane

C16H34O4 — CID 167646530

IUPAC3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
SMILESCC(C)COCCOCCOCCOCCC(C)(C)C
InChIInChI=1S/C16H34O4/c1-15(2)14-20-13-12-19-11-10-18-9-8-17-7-6-16(3,4)5/h15H,6-14H2,1-5H3
InChIKeyPYJNGQPTWMOYEX-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.14
Rot. Bonds13

About 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane

3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane (PubChem CID 167646530) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
PubChem CID167646530
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
SMILESCC(C)COCCOCCOCCOCCC(C)(C)C
InChIInChI=1S/C16H34O4/c1-15(2)14-20-13-12-19-11-10-18-9-8-17-7-6-16(3,4)5/h15H,6-14H2,1-5H3
InChIKeyPYJNGQPTWMOYEX-UHFFFAOYSA-N
XLogP3.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448821
1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
CID 106459785
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxymethyl]triazolidine
CID 171647369
4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane
CID 169317578
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
CID 126671623
1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane
CID 58160227

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane?
The IUPAC name of 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane (CID 167646530) is 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane.
What is the SMILES notation for 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane?
The canonical SMILES for 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane is CC(C)COCCOCCOCCOCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane?
The InChIKey is PYJNGQPTWMOYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-15(2)14-20-13-12-19-11-10-18-9-8-17-7-6-16(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane?
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane has a molecular weight of 290.44 g/mol, XLogP of 3.14, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane is sourced from PubChem (CID 167646530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).