3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane

C15H32O4 — CID 121371559

IUPAC3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane
SMILESCOCOCCOC(OC(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32O4/c1-12(14(2,3)4)19-13(15(5,6)7)18-10-9-17-11-16-8/h12-13H,9-11H2,1-8H3
InChIKeyACHVSJSVYRELGU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.45
Rot. Bonds8

About 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane

3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane (PubChem CID 121371559) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane.

Molecular Properties

Compound Name3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane
PubChem CID121371559
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane
SMILESCOCOCCOC(OC(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32O4/c1-12(14(2,3)4)19-13(15(5,6)7)18-10-9-17-11-16-8/h12-13H,9-11H2,1-8H3
InChIKeyACHVSJSVYRELGU-UHFFFAOYSA-N
XLogP3.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane?
The IUPAC name of 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane (CID 121371559) is 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane.
What is the SMILES notation for 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane?
The canonical SMILES for 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane is COCOCCOC(OC(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane?
The InChIKey is ACHVSJSVYRELGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-12(14(2,3)4)19-13(15(5,6)7)18-10-9-17-11-16-8/h12-13H,9-11H2,1-8H3.
What are the key properties of 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane?
3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane has a molecular weight of 276.42 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(methoxymethoxy)ethoxy]-2,2-dimethylpropoxy]-2,2-dimethylbutane is sourced from PubChem (CID 121371559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).