[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate

C10H16O4 — CID 11310159

IUPAC[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate
SMILESCC(=O)OCC/C=C(\C)COC(C)=O
InChIInChI=1S/C10H16O4/c1-8(7-14-10(3)12)5-4-6-13-9(2)11/h5H,4,6-7H2,1-3H3/b8-5+
InChIKeyRUTOEQMYPDBWEQ-VMPITWQZSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds5

About [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate

[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate (PubChem CID 11310159) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate.

Molecular Properties

Compound Name[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate
PubChem CID11310159
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate
SMILESCC(=O)OCC/C=C(\C)COC(C)=O
InChIInChI=1S/C10H16O4/c1-8(7-14-10(3)12)5-4-6-13-9(2)11/h5H,4,6-7H2,1-3H3/b8-5+
InChIKeyRUTOEQMYPDBWEQ-VMPITWQZSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2E,6E)-2,6-dimethylocta-2,6-dienyl] acetate
CID 88547676
2-methyldec-2-enyl acetate
CID 123999734
[(3E,5E)-4,5-diacetyl-8-acetyloxyocta-3,5-dienyl] acetate
CID 135006269
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
2-acetyloxyethyl 5-acetyloxy-2-methylpent-2-enoate
CID 157306081
[(3E,5E)-4-methyl-7-oxoocta-3,5-dienyl] acetate
CID 11790129
(10-hydroxy-2,6,10-trimethyldodeca-2,6-dienyl) acetate
CID 173356213
pent-3-enyl acetate
CID 54089070
sodium;hydride;3-oxopropyl acetate
CID 173250842
(E)-5-acetyloxypent-2-enoic acid
CID 19026157
(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601
[(4R)-4-ethenyl-2,5-dimethylhexa-2,5-dienyl] acetate
CID 162943769

Frequently Asked Questions

What is the IUPAC name of [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate?
The IUPAC name of [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate (CID 11310159) is [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate.
What is the SMILES notation for [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate?
The canonical SMILES for [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate is CC(=O)OCC/C=C(\C)COC(C)=O.
What is the InChIKey of [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate?
The InChIKey is RUTOEQMYPDBWEQ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(7-14-10(3)12)5-4-6-13-9(2)11/h5H,4,6-7H2,1-3H3/b8-5+.
What are the key properties of [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate?
[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-acetyloxy-4-methylpent-3-enyl] acetate is sourced from PubChem (CID 11310159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).