1-(2,2-diethoxyethoxy)-3-methoxypropane

C10H22O4 — CID 63629609

IUPAC1-(2,2-diethoxyethoxy)-3-methoxypropane
SMILESCCOC(COCCCOC)OCC
InChIInChI=1S/C10H22O4/c1-4-13-10(14-5-2)9-12-8-6-7-11-3/h10H,4-9H2,1-3H3
InChIKeyFHOZAAFBZGYALJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.44
Rot. Bonds10

About 1-(2,2-diethoxyethoxy)-3-methoxypropane

1-(2,2-diethoxyethoxy)-3-methoxypropane (PubChem CID 63629609) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2,2-diethoxyethoxy)-3-methoxypropane.

Molecular Properties

Compound Name1-(2,2-diethoxyethoxy)-3-methoxypropane
PubChem CID63629609
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1-(2,2-diethoxyethoxy)-3-methoxypropane
SMILESCCOC(COCCCOC)OCC
InChIInChI=1S/C10H22O4/c1-4-13-10(14-5-2)9-12-8-6-7-11-3/h10H,4-9H2,1-3H3
InChIKeyFHOZAAFBZGYALJ-UHFFFAOYSA-N
XLogP1.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.44
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-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane
CID 103403802
2-[2-(2-aminoethoxy)-2-ethoxyethoxy]ethanamine
CID 175367490
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol
CID 57074881
1-(1,2-diethoxyethoxy)hexane
CID 173222858
(1-ethoxy-2-icosoxyethyl) dihydrogen phosphate
CID 174480283
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
1-bromo-2-(3-methoxypropoxymethyl)pentane
CID 65010988
1-[3-(3-methoxypropoxy)propoxy]propan-1-ol
CID 23620031
1-ethoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 174187731

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethoxy)-3-methoxypropane?
The IUPAC name of 1-(2,2-diethoxyethoxy)-3-methoxypropane (CID 63629609) is 1-(2,2-diethoxyethoxy)-3-methoxypropane.
What is the SMILES notation for 1-(2,2-diethoxyethoxy)-3-methoxypropane?
The canonical SMILES for 1-(2,2-diethoxyethoxy)-3-methoxypropane is CCOC(COCCCOC)OCC.
What is the InChIKey of 1-(2,2-diethoxyethoxy)-3-methoxypropane?
The InChIKey is FHOZAAFBZGYALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-4-13-10(14-5-2)9-12-8-6-7-11-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-diethoxyethoxy)-3-methoxypropane?
1-(2,2-diethoxyethoxy)-3-methoxypropane has a molecular weight of 206.28 g/mol, XLogP of 1.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethoxy)-3-methoxypropane is sourced from PubChem (CID 63629609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).