1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane

C10H20O3 — CID 87746008

IUPAC1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane
SMILESC=COC(COCCC)OC(C)C
InChIInChI=1S/C10H20O3/c1-5-7-11-8-10(12-6-2)13-9(3)4/h6,9-10H,2,5,7-8H2,1,3-4H3
InChIKeyUQKYPRRHFVZDSD-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.32
Rot. Bonds8

About 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane

1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane (PubChem CID 87746008) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane.

Molecular Properties

Compound Name1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane
PubChem CID87746008
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane
SMILESC=COC(COCCC)OC(C)C
InChIInChI=1S/C10H20O3/c1-5-7-11-8-10(12-6-2)13-9(3)4/h6,9-10H,2,5,7-8H2,1,3-4H3
InChIKeyUQKYPRRHFVZDSD-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane?
The IUPAC name of 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane (CID 87746008) is 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane.
What is the SMILES notation for 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane?
The canonical SMILES for 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane is C=COC(COCCC)OC(C)C.
What is the InChIKey of 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane?
The InChIKey is UQKYPRRHFVZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-7-11-8-10(12-6-2)13-9(3)4/h6,9-10H,2,5,7-8H2,1,3-4H3.
What are the key properties of 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane?
1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane has a molecular weight of 188.27 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxy-2-propan-2-yloxyethoxy)propane is sourced from PubChem (CID 87746008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).