(E)-2,6-dimethylnon-5-enoate

C11H19O2- — CID 59229388

IUPAC(E)-2,6-dimethylnon-5-enoate
SMILESCCC/C(C)=C/CCC(C)C(=O)[O-]
InChIInChI=1S/C11H20O2/c1-4-6-9(2)7-5-8-10(3)11(12)13/h7,10H,4-6,8H2,1-3H3,(H,12,13)/p-1/b9-7+
InChIKeySAFXUUKGCHEDGI-VQHVLOKHSA-M
MW183.27 g/mol
LogP1.90
Rot. Bonds6

About (E)-2,6-dimethylnon-5-enoate

(E)-2,6-dimethylnon-5-enoate (PubChem CID 59229388) has the molecular formula C11H19O2- and a molecular weight of 183.27 g/mol. Its IUPAC name is (E)-2,6-dimethylnon-5-enoate.

Molecular Properties

Compound Name(E)-2,6-dimethylnon-5-enoate
PubChem CID59229388
Molecular FormulaC11H19O2-
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(E)-2,6-dimethylnon-5-enoate
SMILESCCC/C(C)=C/CCC(C)C(=O)[O-]
InChIInChI=1S/C11H20O2/c1-4-6-9(2)7-5-8-10(3)11(12)13/h7,10H,4-6,8H2,1-3H3,(H,12,13)/p-1/b9-7+
InChIKeySAFXUUKGCHEDGI-VQHVLOKHSA-M
XLogP1.90
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 51.90
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

ethyl 2,6-dimethyl-9-oxonon-5-enoate
CID 165357841
magnesium bis(2-methylpentanoate)
CID 140813982
lithium 2-methylpentanoate
CID 122554466
(5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid
CID 59229337
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
(2R)-2-methylhexanoate
CID 6999857
(E)-6-hydroxy-2,6,10-trimethyltridec-10-enoate
CID 59229241
(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
CID 20591839
copper bis(2-methylhexanoate)
CID 19768945
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] butanoate
CID 147657176
(2R)-2-amino-3-[(E)-3,7-dimethyldec-6-enyl]sulfanylpropanoic acid
CID 143996574

Frequently Asked Questions

What is the IUPAC name of (E)-2,6-dimethylnon-5-enoate?
The IUPAC name of (E)-2,6-dimethylnon-5-enoate (CID 59229388) is (E)-2,6-dimethylnon-5-enoate.
What is the SMILES notation for (E)-2,6-dimethylnon-5-enoate?
The canonical SMILES for (E)-2,6-dimethylnon-5-enoate is CCC/C(C)=C/CCC(C)C(=O)[O-].
What is the InChIKey of (E)-2,6-dimethylnon-5-enoate?
The InChIKey is SAFXUUKGCHEDGI-VQHVLOKHSA-M. The full InChI is InChI=1S/C11H20O2/c1-4-6-9(2)7-5-8-10(3)11(12)13/h7,10H,4-6,8H2,1-3H3,(H,12,13)/p-1/b9-7+.
What are the key properties of (E)-2,6-dimethylnon-5-enoate?
(E)-2,6-dimethylnon-5-enoate has a molecular weight of 183.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dimethylnon-5-enoate is sourced from PubChem (CID 59229388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).