1-prop-2-enoxyprop-1-en-2-yl acetate

C8H12O3 — CID 56983974

IUPAC1-prop-2-enoxyprop-1-en-2-yl acetate
SMILESC=CCOC=C(C)OC(C)=O
InChIInChI=1S/C8H12O3/c1-4-5-10-6-7(2)11-8(3)9/h4,6H,1,5H2,2-3H3
InChIKeyILRGBZQHCYCMPO-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.61
Rot. Bonds4

About 1-prop-2-enoxyprop-1-en-2-yl acetate

1-prop-2-enoxyprop-1-en-2-yl acetate (PubChem CID 56983974) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-prop-2-enoxyprop-1-en-2-yl acetate.

Molecular Properties

Compound Name1-prop-2-enoxyprop-1-en-2-yl acetate
PubChem CID56983974
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-prop-2-enoxyprop-1-en-2-yl acetate
SMILESC=CCOC=C(C)OC(C)=O
InChIInChI=1S/C8H12O3/c1-4-5-10-6-7(2)11-8(3)9/h4,6H,1,5H2,2-3H3
InChIKeyILRGBZQHCYCMPO-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.61
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyprop-1-en-2-yl acetate?
The IUPAC name of 1-prop-2-enoxyprop-1-en-2-yl acetate (CID 56983974) is 1-prop-2-enoxyprop-1-en-2-yl acetate.
What is the SMILES notation for 1-prop-2-enoxyprop-1-en-2-yl acetate?
The canonical SMILES for 1-prop-2-enoxyprop-1-en-2-yl acetate is C=CCOC=C(C)OC(C)=O.
What is the InChIKey of 1-prop-2-enoxyprop-1-en-2-yl acetate?
The InChIKey is ILRGBZQHCYCMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-5-10-6-7(2)11-8(3)9/h4,6H,1,5H2,2-3H3.
What are the key properties of 1-prop-2-enoxyprop-1-en-2-yl acetate?
1-prop-2-enoxyprop-1-en-2-yl acetate has a molecular weight of 156.18 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyprop-1-en-2-yl acetate is sourced from PubChem (CID 56983974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).