[(3E)-dodeca-1,3-dien-5-yl] acetate

C14H24O2 — CID 15084211

IUPAC[(3E)-dodeca-1,3-dien-5-yl] acetate
SMILESC=C/C=C/C(CCCCCCC)OC(C)=O
InChIInChI=1S/C14H24O2/c1-4-6-8-9-10-12-14(11-7-5-2)16-13(3)15/h5,7,11,14H,2,4,6,8-10,12H2,1,3H3/b11-7+
InChIKeySSRARWGATREGCF-YRNVUSSQSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds9

About [(3E)-dodeca-1,3-dien-5-yl] acetate

[(3E)-dodeca-1,3-dien-5-yl] acetate (PubChem CID 15084211) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(3E)-dodeca-1,3-dien-5-yl] acetate.

Molecular Properties

Compound Name[(3E)-dodeca-1,3-dien-5-yl] acetate
PubChem CID15084211
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(3E)-dodeca-1,3-dien-5-yl] acetate
SMILESC=C/C=C/C(CCCCCCC)OC(C)=O
InChIInChI=1S/C14H24O2/c1-4-6-8-9-10-12-14(11-7-5-2)16-13(3)15/h5,7,11,14H,2,4,6,8-10,12H2,1,3H3/b11-7+
InChIKeySSRARWGATREGCF-YRNVUSSQSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
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

Massoia Lactone
CID 642793
Prodlure
CID 6441057
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
5-hexylfuran-2(5H)-one
CID 102833
7,9-Dodecadienyl acetate, (7E,9Z)-
CID 1794807
1-Nonen-3-ol, 3-acetate
CID 169364
8,10-Dodecadien-1-ol, 1-acetate, (8E,10E)-
CID 1747818
(+-)-Massoia lactone
CID 39914
7,9-Dodecadienyl acetate, (7Z,9E)-
CID 6437401
(E,E)-7,9-Dodecadien-1-yl acetate
CID 108581
7,9-Dodecadien-1-ol, 1-acetate, (7E,9E)-
CID 1794808
Oxacyclohexadecenone
CID 12410118

Frequently Asked Questions

What is the IUPAC name of [(3E)-dodeca-1,3-dien-5-yl] acetate?
The IUPAC name of [(3E)-dodeca-1,3-dien-5-yl] acetate (CID 15084211) is [(3E)-dodeca-1,3-dien-5-yl] acetate.
What is the SMILES notation for [(3E)-dodeca-1,3-dien-5-yl] acetate?
The canonical SMILES for [(3E)-dodeca-1,3-dien-5-yl] acetate is C=C/C=C/C(CCCCCCC)OC(C)=O.
What is the InChIKey of [(3E)-dodeca-1,3-dien-5-yl] acetate?
The InChIKey is SSRARWGATREGCF-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-6-8-9-10-12-14(11-7-5-2)16-13(3)15/h5,7,11,14H,2,4,6,8-10,12H2,1,3H3/b11-7+.
What are the key properties of [(3E)-dodeca-1,3-dien-5-yl] acetate?
[(3E)-dodeca-1,3-dien-5-yl] acetate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-dodeca-1,3-dien-5-yl] acetate is sourced from PubChem (CID 15084211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).