[(3E,5Z)-deca-3,5-dien-2-yl] acetate

C12H20O2 — CID 12755499

IUPAC[(3E,5Z)-deca-3,5-dien-2-yl] acetate
SMILESCCCC/C=C\C=C\C(C)OC(C)=O
InChIInChI=1S/C12H20O2/c1-4-5-6-7-8-9-10-11(2)14-12(3)13/h7-11H,4-6H2,1-3H3/b8-7-,10-9+
InChIKeyJGUXMRSQNYOHKA-UQGDGPGGSA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds6

About [(3E,5Z)-deca-3,5-dien-2-yl] acetate

[(3E,5Z)-deca-3,5-dien-2-yl] acetate (PubChem CID 12755499) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(3E,5Z)-deca-3,5-dien-2-yl] acetate.

Molecular Properties

Compound Name[(3E,5Z)-deca-3,5-dien-2-yl] acetate
PubChem CID12755499
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(3E,5Z)-deca-3,5-dien-2-yl] acetate
SMILESCCCC/C=C\C=C\C(C)OC(C)=O
InChIInChI=1S/C12H20O2/c1-4-5-6-7-8-9-10-11(2)14-12(3)13/h7-11H,4-6H2,1-3H3/b8-7-,10-9+
InChIKeyJGUXMRSQNYOHKA-UQGDGPGGSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Geranyl Acetate
CID 1549026
Ethyl 2,4-decadienoate, (2E,4Z)-
CID 5281162
2-Hexenyl acetate, (2E)-
CID 2733294
Ethyl (E)-2-heptenoate
CID 5358363
Neryl acetate
CID 1549025
2-Hexenyl propionate, (2E)-
CID 5352463
2-Heptenyl acetate, (2E)-
CID 5363203
2,4-Decadienoic acid, ethyl ester, (2E,4E)-
CID 5371455
2-Octen-1-yl acetate, (2E)-
CID 5463875
Propyl 2,4-decadienoate, (2E,4E)-
CID 5362592
Nonadienyl acetate, (2E,6Z)-
CID 5363120
4,8-Dimethyl-3,7-nonadien-2-ol acetate
CID 5365819

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-deca-3,5-dien-2-yl] acetate?
The IUPAC name of [(3E,5Z)-deca-3,5-dien-2-yl] acetate (CID 12755499) is [(3E,5Z)-deca-3,5-dien-2-yl] acetate.
What is the SMILES notation for [(3E,5Z)-deca-3,5-dien-2-yl] acetate?
The canonical SMILES for [(3E,5Z)-deca-3,5-dien-2-yl] acetate is CCCC/C=C\C=C\C(C)OC(C)=O.
What is the InChIKey of [(3E,5Z)-deca-3,5-dien-2-yl] acetate?
The InChIKey is JGUXMRSQNYOHKA-UQGDGPGGSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-5-6-7-8-9-10-11(2)14-12(3)13/h7-11H,4-6H2,1-3H3/b8-7-,10-9+.
What are the key properties of [(3E,5Z)-deca-3,5-dien-2-yl] acetate?
[(3E,5Z)-deca-3,5-dien-2-yl] acetate has a molecular weight of 196.29 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-deca-3,5-dien-2-yl] acetate is sourced from PubChem (CID 12755499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).