[(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate

C15H26O3 — CID 11043303

IUPAC[(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate
SMILESCC(=O)OC(C)CC/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C15H26O3/c1-12(7-5-9-13(2)11-16)8-6-10-14(3)18-15(4)17/h8-9,14,16H,5-7,10-11H2,1-4H3/b12-8+,13-9+
InChIKeyRIEAXYSWBQKTOD-QHKWOANTSA-N
MW254.37 g/mol
LogP3.38
Rot. Bonds8

About [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate

[(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate (PubChem CID 11043303) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate.

Molecular Properties

Compound Name[(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate
PubChem CID11043303
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name[(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate
SMILESCC(=O)OC(C)CC/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C15H26O3/c1-12(7-5-9-13(2)11-16)8-6-10-14(3)18-15(4)17/h8-9,14,16H,5-7,10-11H2,1-4H3/b12-8+,13-9+
InChIKeyRIEAXYSWBQKTOD-QHKWOANTSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-hydroxy-6-methylhept-5-en-2-yl) acetate
CID 165356951
[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate
CID 6391709
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] butanoate
CID 147657176
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 3-methylbutanoate
CID 146825846
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate
CID 148829427
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cycloheptylacetate
CID 149399642
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate
CID 89476445
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
[(5Z,9E)-11-hydroxy-3,6,10-trimethyl-2-oxoundeca-5,9-dien-3-yl] acetate;[(Z,10S)-11-hydroxy-3,6,10-trimethyl-2-oxoundec-5-en-3-yl] acetate;methane
CID 157489069
4-acetyloxypentanoic acid
CID 14737198
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
6-hydroxyhexan-2-yl acetate
CID 15812148

Frequently Asked Questions

What is the IUPAC name of [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate?
The IUPAC name of [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate (CID 11043303) is [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate.
What is the SMILES notation for [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate?
The canonical SMILES for [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate is CC(=O)OC(C)CC/C=C(\C)CC/C=C(\C)CO.
What is the InChIKey of [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate?
The InChIKey is RIEAXYSWBQKTOD-QHKWOANTSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(7-5-9-13(2)11-16)8-6-10-14(3)18-15(4)17/h8-9,14,16H,5-7,10-11H2,1-4H3/b12-8+,13-9+.
What are the key properties of [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate?
[(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate has a molecular weight of 254.37 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate is sourced from PubChem (CID 11043303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).