[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate

C16H28O2 — CID 6391709

IUPAC[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate
SMILESCCC(=O)OC(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H28O2/c1-6-16(17)18-15(5)12-8-11-14(4)10-7-9-13(2)3/h9,11,15H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyVPLNGCNBQRNVOQ-SDNWHVSQSA-N
MW252.40 g/mol
LogP4.80
Rot. Bonds8

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

[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate (PubChem CID 6391709) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate.

Molecular Properties

Compound Name[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate
PubChem CID6391709
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate
SMILESCCC(=O)OC(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H28O2/c1-6-16(17)18-15(5)12-8-11-14(4)10-7-9-13(2)3/h9,11,15H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyVPLNGCNBQRNVOQ-SDNWHVSQSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methylhept-5-en-2-yl propanoate
CID 3020294
[(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)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl] acetate
CID 11043303
5-(6-methylhept-5-en-2-yloxy)-5-oxopentanoic acid
CID 86071401
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] N-cyclohexylcarbamate
CID 89476445
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
[6,10-dimethyl-4-(2-methylprop-1-enyl)dodeca-6,10-dien-2-yl] propanoate
CID 89487006
ethyl 3-hydroxy-4,8,12-trimethyltrideca-7,11-dienoate
CID 54045506
(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
CID 20591839

Frequently Asked Questions

What is the IUPAC name of [(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate?
The IUPAC name of [(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate (CID 6391709) is [(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate.
What is the SMILES notation for [(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate?
The canonical SMILES for [(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate is CCC(=O)OC(C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate?
The InChIKey is VPLNGCNBQRNVOQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H28O2/c1-6-16(17)18-15(5)12-8-11-14(4)10-7-9-13(2)3/h9,11,15H,6-8,10,12H2,1-5H3/b14-11+.
What are the key properties of [(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate?
[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate has a molecular weight of 252.40 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-6,10-dimethylundeca-5,9-dien-2-yl] propanoate is sourced from PubChem (CID 6391709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).