[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate

C15H26O2 — CID 6436925

IUPAC[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
SMILESCC(=O)OC(C)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3/b13-10-
InChIKeyBXGLLMNDXKACMT-RAXLEYEMSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds7

About [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate

[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate (PubChem CID 6436925) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate.

Molecular Properties

Compound Name[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
PubChem CID6436925
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
SMILESCC(=O)OC(C)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3/b13-10-
InChIKeyBXGLLMNDXKACMT-RAXLEYEMSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate?
The IUPAC name of [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate (CID 6436925) is [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate.
What is the SMILES notation for [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate?
The canonical SMILES for [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate is CC(=O)OC(C)CC/C=C(/C)CCC=C(C)C.
What is the InChIKey of [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate?
The InChIKey is BXGLLMNDXKACMT-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3/b13-10-.
What are the key properties of [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate?
[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate is sourced from PubChem (CID 6436925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).