trideca-1,12-dien-3-yl acetate

C15H26O2 — CID 10911606

IUPACtrideca-1,12-dien-3-yl acetate
SMILESC=CCCCCCCCCC(C=C)OC(C)=O
InChIInChI=1S/C15H26O2/c1-4-6-7-8-9-10-11-12-13-15(5-2)17-14(3)16/h4-5,15H,1-2,6-13H2,3H3
InChIKeyQSHZSKSBCHIGHA-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds11

About trideca-1,12-dien-3-yl acetate

trideca-1,12-dien-3-yl acetate (PubChem CID 10911606) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is trideca-1,12-dien-3-yl acetate.

Molecular Properties

Compound Nametrideca-1,12-dien-3-yl acetate
PubChem CID10911606
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nametrideca-1,12-dien-3-yl acetate
SMILESC=CCCCCCCCCC(C=C)OC(C)=O
InChIInChI=1S/C15H26O2/c1-4-6-7-8-9-10-11-12-13-15(5-2)17-14(3)16/h4-5,15H,1-2,6-13H2,3H3
InChIKeyQSHZSKSBCHIGHA-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trideca-1,12-dien-3-yl acetate?
The IUPAC name of trideca-1,12-dien-3-yl acetate (CID 10911606) is trideca-1,12-dien-3-yl acetate.
What is the SMILES notation for trideca-1,12-dien-3-yl acetate?
The canonical SMILES for trideca-1,12-dien-3-yl acetate is C=CCCCCCCCCC(C=C)OC(C)=O.
What is the InChIKey of trideca-1,12-dien-3-yl acetate?
The InChIKey is QSHZSKSBCHIGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-6-7-8-9-10-11-12-13-15(5-2)17-14(3)16/h4-5,15H,1-2,6-13H2,3H3.
What are the key properties of trideca-1,12-dien-3-yl acetate?
trideca-1,12-dien-3-yl acetate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-1,12-dien-3-yl acetate is sourced from PubChem (CID 10911606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).