[(Z)-3-methoxybut-2-enyl] acetate

C7H12O3 — CID 135086169

IUPAC[(Z)-3-methoxybut-2-enyl] acetate
SMILESCO/C(C)=C\COC(C)=O
InChIInChI=1S/C7H12O3/c1-6(9-3)4-5-10-7(2)8/h4H,5H2,1-3H3/b6-4-
InChIKeyJGGOJEINKXBRRX-XQRVVYSFSA-N
MW144.17 g/mol
LogP1.10
Rot. Bonds3

About [(Z)-3-methoxybut-2-enyl] acetate

[(Z)-3-methoxybut-2-enyl] acetate (PubChem CID 135086169) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is [(Z)-3-methoxybut-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-3-methoxybut-2-enyl] acetate
PubChem CID135086169
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name[(Z)-3-methoxybut-2-enyl] acetate
SMILESCO/C(C)=C\COC(C)=O
InChIInChI=1S/C7H12O3/c1-6(9-3)4-5-10-7(2)8/h4H,5H2,1-3H3/b6-4-
InChIKeyJGGOJEINKXBRRX-XQRVVYSFSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.10
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

3-methylbut-2-enyl acetate
CID 87304509
methyl (E)-6-acetyloxy-4-methylhex-4-enoate
CID 10878162
(Z)-5-methoxyhex-4-en-2-one
CID 87291047
[(Z)-4-chloro-3-methyl-4-oxobut-2-enyl] acetate
CID 71477006
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
methyl 4-methoxypent-3-enoate
CID 131857194
methyl (2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoate
CID 6536858
[(E)-4-hydroxyimino-3-methylbut-2-enyl] acetate
CID 173452291
[(Z)-3-methylhex-2-en-4-ynyl] acetate
CID 15758025
[(E)-3-(acetyloxymethyl)pent-2-enyl] acetate
CID 15254391
[(2E,4E)-6-hydroxy-3-methylhexa-2,4-dienyl] acetate
CID 88832469
[(E)-3-methyl-7-oxooct-2-enyl] acetate
CID 11019848

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-methoxybut-2-enyl] acetate?
The IUPAC name of [(Z)-3-methoxybut-2-enyl] acetate (CID 135086169) is [(Z)-3-methoxybut-2-enyl] acetate.
What is the SMILES notation for [(Z)-3-methoxybut-2-enyl] acetate?
The canonical SMILES for [(Z)-3-methoxybut-2-enyl] acetate is CO/C(C)=C\COC(C)=O.
What is the InChIKey of [(Z)-3-methoxybut-2-enyl] acetate?
The InChIKey is JGGOJEINKXBRRX-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(9-3)4-5-10-7(2)8/h4H,5H2,1-3H3/b6-4-.
What are the key properties of [(Z)-3-methoxybut-2-enyl] acetate?
[(Z)-3-methoxybut-2-enyl] acetate has a molecular weight of 144.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-methoxybut-2-enyl] acetate is sourced from PubChem (CID 135086169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).