4-ethoxy-1-methoxy-2,2-dimethylbutane

C9H20O2 — CID 102175651

IUPAC4-ethoxy-1-methoxy-2,2-dimethylbutane
SMILESCCOCCC(C)(C)COC
InChIInChI=1S/C9H20O2/c1-5-11-7-6-9(2,3)8-10-4/h5-8H2,1-4H3
InChIKeyKQCNYOODUZAJSC-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.09
Rot. Bonds6

About 4-ethoxy-1-methoxy-2,2-dimethylbutane

4-ethoxy-1-methoxy-2,2-dimethylbutane (PubChem CID 102175651) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-ethoxy-1-methoxy-2,2-dimethylbutane.

Molecular Properties

Compound Name4-ethoxy-1-methoxy-2,2-dimethylbutane
PubChem CID102175651
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name4-ethoxy-1-methoxy-2,2-dimethylbutane
SMILESCCOCCC(C)(C)COC
InChIInChI=1S/C9H20O2/c1-5-11-7-6-9(2,3)8-10-4/h5-8H2,1-4H3
InChIKeyKQCNYOODUZAJSC-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.09
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

1-methoxy-2,2-dimethylpentane
CID 57120820
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine
CID 160537822
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
4-ethoxy-2-methylbutane-2-thiol
CID 11643948
5-chloro-1-methoxy-2,2-dimethylpentane
CID 165443489
1-ethoxy-4,4-dimethylhexane
CID 89037329
1-ethoxy-3-ethyl-3,4-dimethylhexane
CID 90857890
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
CID 89254988
1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine
CID 170722890
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methoxy-2,2-dimethylbutane?
The IUPAC name of 4-ethoxy-1-methoxy-2,2-dimethylbutane (CID 102175651) is 4-ethoxy-1-methoxy-2,2-dimethylbutane.
What is the SMILES notation for 4-ethoxy-1-methoxy-2,2-dimethylbutane?
The canonical SMILES for 4-ethoxy-1-methoxy-2,2-dimethylbutane is CCOCCC(C)(C)COC.
What is the InChIKey of 4-ethoxy-1-methoxy-2,2-dimethylbutane?
The InChIKey is KQCNYOODUZAJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-11-7-6-9(2,3)8-10-4/h5-8H2,1-4H3.
What are the key properties of 4-ethoxy-1-methoxy-2,2-dimethylbutane?
4-ethoxy-1-methoxy-2,2-dimethylbutane has a molecular weight of 160.26 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methoxy-2,2-dimethylbutane is sourced from PubChem (CID 102175651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).