[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate

C15H26O4 — CID 11086836

IUPAC[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate
SMILESCCCCCCC/C(=C\COC(C)=O)COC(C)=O
InChIInChI=1S/C15H26O4/c1-4-5-6-7-8-9-15(12-19-14(3)17)10-11-18-13(2)16/h10H,4-9,11-12H2,1-3H3/b15-10+
InChIKeyKEGLPIPMVATJQJ-XNTDXEJSSA-N
MW270.37 g/mol
LogP3.40
Rot. Bonds10

About [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate

[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate (PubChem CID 11086836) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate
PubChem CID11086836
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate
SMILESCCCCCCC/C(=C\COC(C)=O)COC(C)=O
InChIInChI=1S/C15H26O4/c1-4-5-6-7-8-9-15(12-19-14(3)17)10-11-18-13(2)16/h10H,4-9,11-12H2,1-3H3/b15-10+
InChIKeyKEGLPIPMVATJQJ-XNTDXEJSSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.40
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

[(E)-3-methylundec-2-enyl] acetate
CID 161431126
[(E)-3-(acetyloxymethyl)pent-2-enyl] acetate
CID 15254391
[(E)-2-ethylnon-2-enyl] acetate
CID 88547353
[(2Z)-2-benzylideneheptyl] acetate
CID 5371723
[(E)-2-ethylhept-2-enyl] acetate
CID 88547384
2-methyldec-2-enyl acetate
CID 123999734
[(E)-4-acetyloxy-3-tributylstannylbut-2-enyl] acetate
CID 13468497
[(E)-3-octylsulfinylbut-2-enyl] acetate
CID 14821676
3-octylsulfinylbut-2-enyl acetate
CID 57319580
dodecane;ethyl acetate
CID 173033257
ethyl acetate;pentakis(heptane)
CID 173012961
ethyl acetate;decakis(heptane)
CID 173339657

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate?
The IUPAC name of [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate (CID 11086836) is [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate?
The canonical SMILES for [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate is CCCCCCC/C(=C\COC(C)=O)COC(C)=O.
What is the InChIKey of [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate?
The InChIKey is KEGLPIPMVATJQJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-5-6-7-8-9-15(12-19-14(3)17)10-11-18-13(2)16/h10H,4-9,11-12H2,1-3H3/b15-10+.
What are the key properties of [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate?
[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate has a molecular weight of 270.37 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(acetyloxymethyl)dec-2-enyl] acetate is sourced from PubChem (CID 11086836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).