2-acetyloxyhex-5-enyl acetate

C10H16O4 — CID 14663442

IUPAC2-acetyloxyhex-5-enyl acetate
SMILESC=CCCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C10H16O4/c1-4-5-6-10(14-9(3)12)7-13-8(2)11/h4,10H,1,5-7H2,2-3H3
InChIKeyHEFDVLHWUDNMAC-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds6

About 2-acetyloxyhex-5-enyl acetate

2-acetyloxyhex-5-enyl acetate (PubChem CID 14663442) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-acetyloxyhex-5-enyl acetate.

Molecular Properties

Compound Name2-acetyloxyhex-5-enyl acetate
PubChem CID14663442
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-acetyloxyhex-5-enyl acetate
SMILESC=CCCC(COC(C)=O)OC(C)=O
InChIInChI=1S/C10H16O4/c1-4-5-6-10(14-9(3)12)7-13-8(2)11/h4,10H,1,5-7H2,2-3H3
InChIKeyHEFDVLHWUDNMAC-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyhex-5-enyl acetate?
The IUPAC name of 2-acetyloxyhex-5-enyl acetate (CID 14663442) is 2-acetyloxyhex-5-enyl acetate.
What is the SMILES notation for 2-acetyloxyhex-5-enyl acetate?
The canonical SMILES for 2-acetyloxyhex-5-enyl acetate is C=CCCC(COC(C)=O)OC(C)=O.
What is the InChIKey of 2-acetyloxyhex-5-enyl acetate?
The InChIKey is HEFDVLHWUDNMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-5-6-10(14-9(3)12)7-13-8(2)11/h4,10H,1,5-7H2,2-3H3.
What are the key properties of 2-acetyloxyhex-5-enyl acetate?
2-acetyloxyhex-5-enyl acetate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyhex-5-enyl acetate is sourced from PubChem (CID 14663442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).