2-ethenoxy-1,2-diethoxypropane

C9H18O3 — CID 173023093

IUPAC2-ethenoxy-1,2-diethoxypropane
SMILESC=COC(C)(COCC)OCC
InChIInChI=1S/C9H18O3/c1-5-10-8-9(4,11-6-2)12-7-3/h6H,2,5,7-8H2,1,3-4H3
InChIKeyKYZJOJYXWMSYBP-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.94
Rot. Bonds7

About 2-ethenoxy-1,2-diethoxypropane

2-ethenoxy-1,2-diethoxypropane (PubChem CID 173023093) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-ethenoxy-1,2-diethoxypropane.

Molecular Properties

Compound Name2-ethenoxy-1,2-diethoxypropane
PubChem CID173023093
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-ethenoxy-1,2-diethoxypropane
SMILESC=COC(C)(COCC)OCC
InChIInChI=1S/C9H18O3/c1-5-10-8-9(4,11-6-2)12-7-3/h6H,2,5,7-8H2,1,3-4H3
InChIKeyKYZJOJYXWMSYBP-UHFFFAOYSA-N
XLogP1.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane
CID 123926187
2,2,5,5-tetraethoxyhexane
CID 42611383
1,2-diethoxy-1-prop-2-enoxyethanol
CID 155338451
4-ethoxy-4-methoxypent-1-ene
CID 150119013
1-ethoxy-2-methylpent-4-en-2-ol
CID 71384768
2,2-diethoxy-1-methoxypropane
CID 168868590
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
1,3-bis(2-ethenoxy-2-methylpropoxy)-2,2-bis[(2-ethenoxy-2-methylpropoxy)methyl]propane
CID 23539973
(2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate
CID 154385103
buta-1,3-diene;ethoxyethane
CID 18964357
ethoxyethane;prop-1-ene
CID 22712887
2,2-dimethylbutane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;methane
CID 158145131

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1,2-diethoxypropane?
The IUPAC name of 2-ethenoxy-1,2-diethoxypropane (CID 173023093) is 2-ethenoxy-1,2-diethoxypropane.
What is the SMILES notation for 2-ethenoxy-1,2-diethoxypropane?
The canonical SMILES for 2-ethenoxy-1,2-diethoxypropane is C=COC(C)(COCC)OCC.
What is the InChIKey of 2-ethenoxy-1,2-diethoxypropane?
The InChIKey is KYZJOJYXWMSYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-10-8-9(4,11-6-2)12-7-3/h6H,2,5,7-8H2,1,3-4H3.
What are the key properties of 2-ethenoxy-1,2-diethoxypropane?
2-ethenoxy-1,2-diethoxypropane has a molecular weight of 174.24 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1,2-diethoxypropane is sourced from PubChem (CID 173023093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).