1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane

C9H20O4 — CID 87172794

IUPAC1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCCOC(C)OCCOCCOC
InChIInChI=1S/C9H20O4/c1-4-12-9(2)13-8-7-11-6-5-10-3/h9H,4-8H2,1-3H3
InChIKeyQVCVJRDYXQJIKX-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.05
Rot. Bonds9

About 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane

1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane (PubChem CID 87172794) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
PubChem CID87172794
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCCOC(C)OCCOCCOC
InChIInChI=1S/C9H20O4/c1-4-12-9(2)13-8-7-11-6-5-10-3/h9H,4-8H2,1-3H3
InChIKeyQVCVJRDYXQJIKX-UHFFFAOYSA-N
XLogP1.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.05
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

1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane
CID 7765
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1,1-diethoxyethane;sulfane
CID 87563963
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
1-ethoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 174187731
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane?
The IUPAC name of 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane (CID 87172794) is 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane.
What is the SMILES notation for 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane?
The canonical SMILES for 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane is CCOC(C)OCCOCCOC.
What is the InChIKey of 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane?
The InChIKey is QVCVJRDYXQJIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-4-12-9(2)13-8-7-11-6-5-10-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane?
1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane has a molecular weight of 192.25 g/mol, XLogP of 1.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane is sourced from PubChem (CID 87172794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).