[(E)-1-methoxyprop-1-enyl] acetate

C6H10O3 — CID 22242401

IUPAC[(E)-1-methoxyprop-1-enyl] acetate
SMILESC/C=C(\OC)OC(C)=O
InChIInChI=1S/C6H10O3/c1-4-6(8-3)9-5(2)7/h4H,1-3H3/b6-4+
InChIKeyPCSFCYIRLFAXMJ-GQCTYLIASA-N
MW130.14 g/mol
LogP1.06
Rot. Bonds2

About [(E)-1-methoxyprop-1-enyl] acetate

[(E)-1-methoxyprop-1-enyl] acetate (PubChem CID 22242401) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [(E)-1-methoxyprop-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-1-methoxyprop-1-enyl] acetate
PubChem CID22242401
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[(E)-1-methoxyprop-1-enyl] acetate
SMILESC/C=C(\OC)OC(C)=O
InChIInChI=1S/C6H10O3/c1-4-6(8-3)9-5(2)7/h4H,1-3H3/b6-4+
InChIKeyPCSFCYIRLFAXMJ-GQCTYLIASA-N
XLogP1.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(E)-1-methoxyprop-1-enyl] acetate?
The IUPAC name of [(E)-1-methoxyprop-1-enyl] acetate (CID 22242401) is [(E)-1-methoxyprop-1-enyl] acetate.
What is the SMILES notation for [(E)-1-methoxyprop-1-enyl] acetate?
The canonical SMILES for [(E)-1-methoxyprop-1-enyl] acetate is C/C=C(\OC)OC(C)=O.
What is the InChIKey of [(E)-1-methoxyprop-1-enyl] acetate?
The InChIKey is PCSFCYIRLFAXMJ-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10O3/c1-4-6(8-3)9-5(2)7/h4H,1-3H3/b6-4+.
What are the key properties of [(E)-1-methoxyprop-1-enyl] acetate?
[(E)-1-methoxyprop-1-enyl] acetate has a molecular weight of 130.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-methoxyprop-1-enyl] acetate is sourced from PubChem (CID 22242401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).