2-ethenoxypropane

C5H10O — CID 13557

IUPAC2-ethenoxypropane
SMILESC=COC(C)C
InChIInChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3
InChIKeyGNUGVECARVKIPH-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.55
Rot. Bonds2

About 2-ethenoxypropane

2-ethenoxypropane (PubChem CID 13557) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 2-ethenoxypropane.

Molecular Properties

Compound Name2-ethenoxypropane
PubChem CID13557
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name2-ethenoxypropane
SMILESC=COC(C)C
InChIInChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3
InChIKeyGNUGVECARVKIPH-UHFFFAOYSA-N
XLogP1.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-ethenoxypropane?
The IUPAC name of 2-ethenoxypropane (CID 13557) is 2-ethenoxypropane.
What is the SMILES notation for 2-ethenoxypropane?
The canonical SMILES for 2-ethenoxypropane is C=COC(C)C.
What is the InChIKey of 2-ethenoxypropane?
The InChIKey is GNUGVECARVKIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3.
What are the key properties of 2-ethenoxypropane?
2-ethenoxypropane has a molecular weight of 86.13 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxypropane is sourced from PubChem (CID 13557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).