1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane

C61H138O17 — CID 158810066

IUPAC1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane
SMILESCCCOC(C)COCC.CCOCC(C)(C)COCC.CCOCC(C)OCC.CCOCCCCCCOCC.CCOCCCOCC.CCOCCOCC.CCOCCOCC.CCOCCOCCOCC
InChIInChI=1S/C10H22O2.C9H20O2.C8H18O3.C8H18O2.2C7H16O2.2C6H14O2/c1-3-11-9-7-5-6-8-10-12-4-2;1-5-10-7-9(3,4)8-11-6-2;1-3-9-5-7-11-8-6-10-4-2;1-4-6-10-8(3)7-9-5-2;1-4-8-6-7(3)9-5-2;1-3-8-6-5-7-9-4-2;2*1-3-7-5-6-8-4-2/h3-10H2,1-2H3;5-8H2,1-4H3;3-8H2,1-2H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;2*3-6H2,1-2H3
InChIKeyIUOKSIDHNTWCHQ-UHFFFAOYSA-N
MW1143.76 g/mol
LogP12.64
Rot. Bonds50

About 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane

1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane (PubChem CID 158810066) has the molecular formula C61H138O17 and a molecular weight of 1143.76 g/mol. Its IUPAC name is 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane.

Molecular Properties

Compound Name1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane
PubChem CID158810066
Molecular FormulaC61H138O17
Molecular Weight1143.76 g/mol
Exact Mass1142.99
IUPAC Name1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane
SMILESCCCOC(C)COCC.CCOCC(C)(C)COCC.CCOCC(C)OCC.CCOCCCCCCOCC.CCOCCCOCC.CCOCCOCC.CCOCCOCC.CCOCCOCCOCC
InChIInChI=1S/C10H22O2.C9H20O2.C8H18O3.C8H18O2.2C7H16O2.2C6H14O2/c1-3-11-9-7-5-6-8-10-12-4-2;1-5-10-7-9(3,4)8-11-6-2;1-3-9-5-7-11-8-6-10-4-2;1-4-6-10-8(3)7-9-5-2;1-4-8-6-7(3)9-5-2;1-3-8-6-5-7-9-4-2;2*1-3-7-5-6-8-4-2/h3-10H2,1-2H3;5-8H2,1-4H3;3-8H2,1-2H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;2*3-6H2,1-2H3
InChIKeyIUOKSIDHNTWCHQ-UHFFFAOYSA-N
XLogP12.64
TPSA156.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds50
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.76
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane with MolForge

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Related Compounds

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CID 22002926
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CID 92973991
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
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CID 19693399
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
2-ethoxy-1-(2-ethoxypropoxy)propane
CID 21277912

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane?
The IUPAC name of 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane (CID 158810066) is 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane.
What is the SMILES notation for 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane?
The canonical SMILES for 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane is CCCOC(C)COCC.CCOCC(C)(C)COCC.CCOCC(C)OCC.CCOCCCCCCOCC.CCOCCCOCC.CCOCCOCC.CCOCCOCC.CCOCCOCCOCC.
What is the InChIKey of 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane?
The InChIKey is IUOKSIDHNTWCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C9H20O2.C8H18O3.C8H18O2.2C7H16O2.2C6H14O2/c1-3-11-9-7-5-6-8-10-12-4-2;1-5-10-7-9(3,4)8-11-6-2;1-3-9-5-7-11-8-6-10-4-2;1-4-6-10-8(3)7-9-5-2;1-4-8-6-7(3)9-5-2;1-3-8-6-5-7-9-4-2;2*1-3-7-5-6-8-4-2/h3-10H2,1-2H3;5-8H2,1-4H3;3-8H2,1-2H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;2*3-6H2,1-2H3.
What are the key properties of 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane?
1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane has a molecular weight of 1143.76 g/mol, XLogP of 12.64, 50 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-2,2-dimethylpropane;bis(1,2-diethoxyethane);1,6-diethoxyhexane;1,2-diethoxypropane;1,3-diethoxypropane;1-ethoxy-2-(2-ethoxyethoxy)ethane;1-ethoxy-2-propoxypropane is sourced from PubChem (CID 158810066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).