2-ethenoxy-2-propan-2-yloxypropane

C8H16O2 — CID 91036163

IUPAC2-ethenoxy-2-propan-2-yloxypropane
SMILESC=COC(C)(C)OC(C)C
InChIInChI=1S/C8H16O2/c1-6-9-8(4,5)10-7(2)3/h6-7H,1H2,2-5H3
InChIKeyBQZBNQUDLJILSG-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.31
Rot. Bonds4

About 2-ethenoxy-2-propan-2-yloxypropane

2-ethenoxy-2-propan-2-yloxypropane (PubChem CID 91036163) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-ethenoxy-2-propan-2-yloxypropane.

Molecular Properties

Compound Name2-ethenoxy-2-propan-2-yloxypropane
PubChem CID91036163
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-ethenoxy-2-propan-2-yloxypropane
SMILESC=COC(C)(C)OC(C)C
InChIInChI=1S/C8H16O2/c1-6-9-8(4,5)10-7(2)3/h6-7H,1H2,2-5H3
InChIKeyBQZBNQUDLJILSG-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2-propan-2-yloxypropane?
The IUPAC name of 2-ethenoxy-2-propan-2-yloxypropane (CID 91036163) is 2-ethenoxy-2-propan-2-yloxypropane.
What is the SMILES notation for 2-ethenoxy-2-propan-2-yloxypropane?
The canonical SMILES for 2-ethenoxy-2-propan-2-yloxypropane is C=COC(C)(C)OC(C)C.
What is the InChIKey of 2-ethenoxy-2-propan-2-yloxypropane?
The InChIKey is BQZBNQUDLJILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-9-8(4,5)10-7(2)3/h6-7H,1H2,2-5H3.
What are the key properties of 2-ethenoxy-2-propan-2-yloxypropane?
2-ethenoxy-2-propan-2-yloxypropane has a molecular weight of 144.21 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-2-propan-2-yloxypropane is sourced from PubChem (CID 91036163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).