1-acetyloxydec-5-enyl acetate

C14H24O4 — CID 86759751

IUPAC1-acetyloxydec-5-enyl acetate
SMILESCCCCC=CCCCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H24O4/c1-4-5-6-7-8-9-10-11-14(17-12(2)15)18-13(3)16/h7-8,14H,4-6,9-11H2,1-3H3
InChIKeyUIAXVQDXDRFPSC-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.36
Rot. Bonds9

About 1-acetyloxydec-5-enyl acetate

1-acetyloxydec-5-enyl acetate (PubChem CID 86759751) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-acetyloxydec-5-enyl acetate.

Molecular Properties

Compound Name1-acetyloxydec-5-enyl acetate
PubChem CID86759751
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name1-acetyloxydec-5-enyl acetate
SMILESCCCCC=CCCCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H24O4/c1-4-5-6-7-8-9-10-11-14(17-12(2)15)18-13(3)16/h7-8,14H,4-6,9-11H2,1-3H3
InChIKeyUIAXVQDXDRFPSC-UHFFFAOYSA-N
XLogP3.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-fluorohexadec-11-enyl acetate
CID 173348384
tetradec-10-en-5-yl acetate
CID 54019946
1-acetyloxyhex-5-enyl acetate
CID 15000176
[(Z,2R)-heptadec-8-en-2-yl] acetate
CID 66573257
1-[(Z)-octadec-9-enoyl]oxypentyl (Z)-octadec-9-enoate
CID 141044685
icos-13-en-10-yl acetate
CID 175361590
[(E)-pentacos-11-en-8-yl] acetate
CID 126648537
1-methoxypentyl acetate
CID 18000534
18-oxononadec-11-en-7-yl acetate
CID 76539164
[(E)-1-acetyloxyoct-2-enyl] acetate
CID 88547351
1-acetyloxydecyl heptanoate
CID 87914473
(2S,5Z,9Z)-2-acetyloxyhexacosa-5,9-dienoic acid
CID 101340359

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxydec-5-enyl acetate?
The IUPAC name of 1-acetyloxydec-5-enyl acetate (CID 86759751) is 1-acetyloxydec-5-enyl acetate.
What is the SMILES notation for 1-acetyloxydec-5-enyl acetate?
The canonical SMILES for 1-acetyloxydec-5-enyl acetate is CCCCC=CCCCC(OC(C)=O)OC(C)=O.
What is the InChIKey of 1-acetyloxydec-5-enyl acetate?
The InChIKey is UIAXVQDXDRFPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-5-6-7-8-9-10-11-14(17-12(2)15)18-13(3)16/h7-8,14H,4-6,9-11H2,1-3H3.
What are the key properties of 1-acetyloxydec-5-enyl acetate?
1-acetyloxydec-5-enyl acetate has a molecular weight of 256.34 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxydec-5-enyl acetate is sourced from PubChem (CID 86759751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).