4-ethoxy-1-methoxy-2-methylbutane

C8H18O2 — CID 102175642

IUPAC4-ethoxy-1-methoxy-2-methylbutane
SMILESCCOCCC(C)COC
InChIInChI=1S/C8H18O2/c1-4-10-6-5-8(2)7-9-3/h8H,4-7H2,1-3H3
InChIKeyYLKOCZXWNPESDG-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.70
Rot. Bonds6

About 4-ethoxy-1-methoxy-2-methylbutane

4-ethoxy-1-methoxy-2-methylbutane (PubChem CID 102175642) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-ethoxy-1-methoxy-2-methylbutane.

Molecular Properties

Compound Name4-ethoxy-1-methoxy-2-methylbutane
PubChem CID102175642
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name4-ethoxy-1-methoxy-2-methylbutane
SMILESCCOCCC(C)COC
InChIInChI=1S/C8H18O2/c1-4-10-6-5-8(2)7-9-3/h8H,4-7H2,1-3H3
InChIKeyYLKOCZXWNPESDG-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.70
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

1,4-diethoxy-2-methylbutane
CID 59899860
4-ethoxy-1-methoxybutan-2-amine
CID 115601761
5-ethoxy-3-methylpentan-1-amine
CID 87063287
1-ethoxy-3,5,5-trimethylhexane
CID 22002848
1-methoxy-2,22-dimethyltetracosane
CID 86173032
1-methoxy-2-methyldecane
CID 13444249
1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
CID 59128190
4-bromo-1-methoxy-2-methylbutane
CID 115625046
(3S)-4-methoxy-3-methylbutan-1-ol
CID 87593216
1-ethoxy-5-methoxypentan-3-amine
CID 114997131
1-methoxy-2,10,24-trimethylheptacosane
CID 86172880
1-methoxy-2,12-dimethyldocosane
CID 91752253

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methoxy-2-methylbutane?
The IUPAC name of 4-ethoxy-1-methoxy-2-methylbutane (CID 102175642) is 4-ethoxy-1-methoxy-2-methylbutane.
What is the SMILES notation for 4-ethoxy-1-methoxy-2-methylbutane?
The canonical SMILES for 4-ethoxy-1-methoxy-2-methylbutane is CCOCCC(C)COC.
What is the InChIKey of 4-ethoxy-1-methoxy-2-methylbutane?
The InChIKey is YLKOCZXWNPESDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-10-6-5-8(2)7-9-3/h8H,4-7H2,1-3H3.
What are the key properties of 4-ethoxy-1-methoxy-2-methylbutane?
4-ethoxy-1-methoxy-2-methylbutane has a molecular weight of 146.23 g/mol, XLogP of 1.70, 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-methylbutane is sourced from PubChem (CID 102175642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).