2-ethenoxy-1-ethoxy-2-propoxypropane

C10H20O3 — CID 22491585

IUPAC2-ethenoxy-1-ethoxy-2-propoxypropane
SMILESC=COC(C)(COCC)OCCC
InChIInChI=1S/C10H20O3/c1-5-8-13-10(4,12-7-3)9-11-6-2/h7H,3,5-6,8-9H2,1-2,4H3
InChIKeyLSQRRKFQKUZDDZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.33
Rot. Bonds8

About 2-ethenoxy-1-ethoxy-2-propoxypropane

2-ethenoxy-1-ethoxy-2-propoxypropane (PubChem CID 22491585) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-ethenoxy-1-ethoxy-2-propoxypropane.

Molecular Properties

Compound Name2-ethenoxy-1-ethoxy-2-propoxypropane
PubChem CID22491585
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-ethenoxy-1-ethoxy-2-propoxypropane
SMILESC=COC(C)(COCC)OCCC
InChIInChI=1S/C10H20O3/c1-5-8-13-10(4,12-7-3)9-11-6-2/h7H,3,5-6,8-9H2,1-2,4H3
InChIKeyLSQRRKFQKUZDDZ-UHFFFAOYSA-N
XLogP2.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1-ethoxy-2-propoxypropane?
The IUPAC name of 2-ethenoxy-1-ethoxy-2-propoxypropane (CID 22491585) is 2-ethenoxy-1-ethoxy-2-propoxypropane.
What is the SMILES notation for 2-ethenoxy-1-ethoxy-2-propoxypropane?
The canonical SMILES for 2-ethenoxy-1-ethoxy-2-propoxypropane is C=COC(C)(COCC)OCCC.
What is the InChIKey of 2-ethenoxy-1-ethoxy-2-propoxypropane?
The InChIKey is LSQRRKFQKUZDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-8-13-10(4,12-7-3)9-11-6-2/h7H,3,5-6,8-9H2,1-2,4H3.
What are the key properties of 2-ethenoxy-1-ethoxy-2-propoxypropane?
2-ethenoxy-1-ethoxy-2-propoxypropane has a molecular weight of 188.27 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1-ethoxy-2-propoxypropane is sourced from PubChem (CID 22491585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).