1-ethenoxy-2-propoxypropane

C8H16O2 — CID 22058889

IUPAC1-ethenoxy-2-propoxypropane
SMILESC=COCC(C)OCCC
InChIInChI=1S/C8H16O2/c1-4-6-10-8(3)7-9-5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyBNMZREDQMDQOQV-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds6

About 1-ethenoxy-2-propoxypropane

1-ethenoxy-2-propoxypropane (PubChem CID 22058889) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-ethenoxy-2-propoxypropane.

Molecular Properties

Compound Name1-ethenoxy-2-propoxypropane
PubChem CID22058889
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-ethenoxy-2-propoxypropane
SMILESC=COCC(C)OCCC
InChIInChI=1S/C8H16O2/c1-4-6-10-8(3)7-9-5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyBNMZREDQMDQOQV-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-propoxypropane?
The IUPAC name of 1-ethenoxy-2-propoxypropane (CID 22058889) is 1-ethenoxy-2-propoxypropane.
What is the SMILES notation for 1-ethenoxy-2-propoxypropane?
The canonical SMILES for 1-ethenoxy-2-propoxypropane is C=COCC(C)OCCC.
What is the InChIKey of 1-ethenoxy-2-propoxypropane?
The InChIKey is BNMZREDQMDQOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6-10-8(3)7-9-5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 1-ethenoxy-2-propoxypropane?
1-ethenoxy-2-propoxypropane has a molecular weight of 144.21 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-propoxypropane is sourced from PubChem (CID 22058889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).