2-ethenoxy-1-propan-2-yloxy-2-propoxypropane

C11H22O3 — CID 22491586

IUPAC2-ethenoxy-1-propan-2-yloxy-2-propoxypropane
SMILESC=COC(C)(COC(C)C)OCCC
InChIInChI=1S/C11H22O3/c1-6-8-14-11(5,13-7-2)9-12-10(3)4/h7,10H,2,6,8-9H2,1,3-5H3
InChIKeyDWVBKUFJTXHIBW-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.71
Rot. Bonds8

About 2-ethenoxy-1-propan-2-yloxy-2-propoxypropane

2-ethenoxy-1-propan-2-yloxy-2-propoxypropane (PubChem CID 22491586) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-ethenoxy-1-propan-2-yloxy-2-propoxypropane.

Molecular Properties

Compound Name2-ethenoxy-1-propan-2-yloxy-2-propoxypropane
PubChem CID22491586
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-ethenoxy-1-propan-2-yloxy-2-propoxypropane
SMILESC=COC(C)(COC(C)C)OCCC
InChIInChI=1S/C11H22O3/c1-6-8-14-11(5,13-7-2)9-12-10(3)4/h7,10H,2,6,8-9H2,1,3-5H3
InChIKeyDWVBKUFJTXHIBW-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.71
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-propan-2-yloxy-2-propoxypropane?
The IUPAC name of 2-ethenoxy-1-propan-2-yloxy-2-propoxypropane (CID 22491586) is 2-ethenoxy-1-propan-2-yloxy-2-propoxypropane.
What is the SMILES notation for 2-ethenoxy-1-propan-2-yloxy-2-propoxypropane?
The canonical SMILES for 2-ethenoxy-1-propan-2-yloxy-2-propoxypropane is C=COC(C)(COC(C)C)OCCC.
What is the InChIKey of 2-ethenoxy-1-propan-2-yloxy-2-propoxypropane?
The InChIKey is DWVBKUFJTXHIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-8-14-11(5,13-7-2)9-12-10(3)4/h7,10H,2,6,8-9H2,1,3-5H3.
What are the key properties of 2-ethenoxy-1-propan-2-yloxy-2-propoxypropane?
2-ethenoxy-1-propan-2-yloxy-2-propoxypropane has a molecular weight of 202.29 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1-propan-2-yloxy-2-propoxypropane is sourced from PubChem (CID 22491586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).