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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Related Compounds

3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane
CID 121371563
1-methoxy-2-(methoxymethoxymethoxy)ethane
CID 91553787
1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
CID 87791179
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030
1-(methoxymethoxy)-6-methylheptane
CID 54450331
1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol
CID 134861887
N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2-methoxyethoxy)propyl]methanesulfonamide
CID 88980982
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
CID 54403721
3-(methoxymethoxy)-2-methylpentane
CID 21050072
2-(methoxymethoxy)ethanethiol
CID 21307465
2-(methoxymethoxy)-3-methylbutane
CID 59908312

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).