1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane

C10H22O5 — CID 103403802

IUPAC1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane
SMILESCOCCOCCCOCC(OC)OC
InChIInChI=1S/C10H22O5/c1-11-7-8-14-5-4-6-15-9-10(12-2)13-3/h10H,4-9H2,1-3H3
InChIKeyZCQKFIPNDSEBJR-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.68
Rot. Bonds11

About 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane

1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane (PubChem CID 103403802) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane.

Molecular Properties

Compound Name1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane
PubChem CID103403802
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane
SMILESCOCCOCCCOCC(OC)OC
InChIInChI=1S/C10H22O5/c1-11-7-8-14-5-4-6-15-9-10(12-2)13-3/h10H,4-9H2,1-3H3
InChIKeyZCQKFIPNDSEBJR-UHFFFAOYSA-N
XLogP0.68
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-dimethoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 14433926
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-(2,2-diethoxyethoxy)-3-methoxypropane
CID 63629609
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
2-(2-ethenoxyethoxy)-1,1-dimethoxyethane
CID 102452701
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094
2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol
CID 146605981
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
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-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane?
The IUPAC name of 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane (CID 103403802) is 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane.
What is the SMILES notation for 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane?
The canonical SMILES for 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane is COCCOCCCOCC(OC)OC.
What is the InChIKey of 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane?
The InChIKey is ZCQKFIPNDSEBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-11-7-8-14-5-4-6-15-9-10(12-2)13-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane?
1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane has a molecular weight of 222.28 g/mol, XLogP of 0.68, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane is sourced from PubChem (CID 103403802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).