methyl 2-(dimethylamino)octa-4,7-dienoate

C11H19NO2 — CID 71318195

IUPACmethyl 2-(dimethylamino)octa-4,7-dienoate
SMILESC=CCC=CCC(C(=O)OC)N(C)C
InChIInChI=1S/C11H19NO2/c1-5-6-7-8-9-10(12(2)3)11(13)14-4/h5,7-8,10H,1,6,9H2,2-4H3
InChIKeyKAJMSZUCKZZGKA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds6

About methyl 2-(dimethylamino)octa-4,7-dienoate

methyl 2-(dimethylamino)octa-4,7-dienoate (PubChem CID 71318195) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 2-(dimethylamino)octa-4,7-dienoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)octa-4,7-dienoate
PubChem CID71318195
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 2-(dimethylamino)octa-4,7-dienoate
SMILESC=CCC=CCC(C(=O)OC)N(C)C
InChIInChI=1S/C11H19NO2/c1-5-6-7-8-9-10(12(2)3)11(13)14-4/h5,7-8,10H,1,6,9H2,2-4H3
InChIKeyKAJMSZUCKZZGKA-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(dimethylamino)non-8-enoate
CID 58307946
methyl 2-(dimethylamino)butanoate
CID 14644900
methyl 2-(dimethylamino)-3-methoxypropanoate
CID 59922480
methyl (3Z,6Z)-deca-3,6,9-trienoate
CID 118680106
methyl 2-aminopent-4-enoate
CID 10877146
methyl (4E)-octa-4,7-dienoate
CID 10986465
methyl 2-[methyl-[(2E)-penta-2,4-dienyl]amino]butanoate
CID 101060319
(3E)-N,N-dimethylhepta-3,6-dienamide
CID 88571457
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
methyl (2S)-6-amino-2-(dimethylamino)hexanoate
CID 22894949
methyl (4E)-2-hydroxydeca-4,9-dienoate
CID 19751808
dimethyl (E)-2-prop-2-enylhex-3-enedioate
CID 22630167

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)octa-4,7-dienoate?
The IUPAC name of methyl 2-(dimethylamino)octa-4,7-dienoate (CID 71318195) is methyl 2-(dimethylamino)octa-4,7-dienoate.
What is the SMILES notation for methyl 2-(dimethylamino)octa-4,7-dienoate?
The canonical SMILES for methyl 2-(dimethylamino)octa-4,7-dienoate is C=CCC=CCC(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)octa-4,7-dienoate?
The InChIKey is KAJMSZUCKZZGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-6-7-8-9-10(12(2)3)11(13)14-4/h5,7-8,10H,1,6,9H2,2-4H3.
What are the key properties of methyl 2-(dimethylamino)octa-4,7-dienoate?
methyl 2-(dimethylamino)octa-4,7-dienoate has a molecular weight of 197.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)octa-4,7-dienoate is sourced from PubChem (CID 71318195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).