[(E)-1-acetyloxy-4-methylpent-2-enyl] acetate

C10H16O4 — CID 11481064

IUPAC[(E)-1-acetyloxy-4-methylpent-2-enyl] acetate
SMILESCC(=O)OC(/C=C/C(C)C)OC(C)=O
InChIInChI=1S/C10H16O4/c1-7(2)5-6-10(13-8(3)11)14-9(4)12/h5-7,10H,1-4H3/b6-5+
InChIKeyIJUDICVVQNEBOE-AATRIKPKSA-N
MW200.23 g/mol
LogP1.65
Rot. Bonds4

About [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate

[(E)-1-acetyloxy-4-methylpent-2-enyl] acetate (PubChem CID 11481064) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-1-acetyloxy-4-methylpent-2-enyl] acetate
PubChem CID11481064
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(E)-1-acetyloxy-4-methylpent-2-enyl] acetate
SMILESCC(=O)OC(/C=C/C(C)C)OC(C)=O
InChIInChI=1S/C10H16O4/c1-7(2)5-6-10(13-8(3)11)14-9(4)12/h5-7,10H,1-4H3/b6-5+
InChIKeyIJUDICVVQNEBOE-AATRIKPKSA-N
XLogP1.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Butene-1,1-diyl diacetate
CID 5355874
(2E)-1,4-dimethoxybut-2-en-1-yl acetate
CID 91828201
But-2-ene-1,1-diyl diacetate
CID 95989
cis-2-Butenylene diacetate
CID 5363431
2-Pentene, 1,1-diethoxy-
CID 6438064
[(E)-1-acetyloxyhex-2-enyl] acetate
CID 15534444
Ethyl 5,5-diethoxy-2-pentenoate
CID 85440878
CID 118084
CID 118084
[(E)-4,4-diacetyloxybut-2-enyl] acetate
CID 20274789
[(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate
CID 11118275
(E)-1,1-Diethoxy-4-methyl-pent-2-ene
CID 12865549
1,1,5,5-Tetraethoxy-2-pentene
CID 86020895

Frequently Asked Questions

What is the IUPAC name of [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate?
The IUPAC name of [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate (CID 11481064) is [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate.
What is the SMILES notation for [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate?
The canonical SMILES for [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate is CC(=O)OC(/C=C/C(C)C)OC(C)=O.
What is the InChIKey of [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate?
The InChIKey is IJUDICVVQNEBOE-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(2)5-6-10(13-8(3)11)14-9(4)12/h5-7,10H,1-4H3/b6-5+.
What are the key properties of [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate?
[(E)-1-acetyloxy-4-methylpent-2-enyl] acetate has a molecular weight of 200.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-acetyloxy-4-methylpent-2-enyl] acetate is sourced from PubChem (CID 11481064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).