[(E)-1-methoxyprop-1-en-2-yl] acetate

C6H10O3 — CID 15038734

IUPAC[(E)-1-methoxyprop-1-en-2-yl] acetate
SMILESCO/C=C(\C)OC(C)=O
InChIInChI=1S/C6H10O3/c1-5(4-8-3)9-6(2)7/h4H,1-3H3/b5-4+
InChIKeyCATOQSWTCPBFOR-SNAWJCMRSA-N
MW130.14 g/mol
LogP1.06
Rot. Bonds2

About [(E)-1-methoxyprop-1-en-2-yl] acetate

[(E)-1-methoxyprop-1-en-2-yl] acetate (PubChem CID 15038734) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [(E)-1-methoxyprop-1-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-1-methoxyprop-1-en-2-yl] acetate
PubChem CID15038734
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[(E)-1-methoxyprop-1-en-2-yl] acetate
SMILESCO/C=C(\C)OC(C)=O
InChIInChI=1S/C6H10O3/c1-5(4-8-3)9-6(2)7/h4H,1-3H3/b5-4+
InChIKeyCATOQSWTCPBFOR-SNAWJCMRSA-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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Related Compounds

1-prop-2-enoxyprop-1-en-2-yl acetate
CID 56983974
methyl (Z)-3-acetyloxybut-2-enoate
CID 6437326
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
1-methoxy-2-methylprop-1-ene;hydrofluoride
CID 174504436
[(E)-pent-2-en-2-yl] acetate
CID 12958660
CID 160689228
CID 160689228
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
1-cyanoprop-1-en-2-yl acetate
CID 71379266
[(E)-1-methoxyprop-1-enyl] acetate
CID 22242401
(1-acetyloxy-2-aminoethenyl) acetate
CID 175381155
[(E)-1-methoxy-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132538322

Frequently Asked Questions

What is the IUPAC name of [(E)-1-methoxyprop-1-en-2-yl] acetate?
The IUPAC name of [(E)-1-methoxyprop-1-en-2-yl] acetate (CID 15038734) is [(E)-1-methoxyprop-1-en-2-yl] acetate.
What is the SMILES notation for [(E)-1-methoxyprop-1-en-2-yl] acetate?
The canonical SMILES for [(E)-1-methoxyprop-1-en-2-yl] acetate is CO/C=C(\C)OC(C)=O.
What is the InChIKey of [(E)-1-methoxyprop-1-en-2-yl] acetate?
The InChIKey is CATOQSWTCPBFOR-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10O3/c1-5(4-8-3)9-6(2)7/h4H,1-3H3/b5-4+.
What are the key properties of [(E)-1-methoxyprop-1-en-2-yl] acetate?
[(E)-1-methoxyprop-1-en-2-yl] 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-en-2-yl] acetate is sourced from PubChem (CID 15038734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).