methyl (2R)-2-(dimethylamino)dec-9-enoate

C13H25NO2 — CID 58307960

IUPACmethyl (2R)-2-(dimethylamino)dec-9-enoate
SMILESC=CCCCCCC[C@H](C(=O)OC)N(C)C
InChIInChI=1S/C13H25NO2/c1-5-6-7-8-9-10-11-12(14(2)3)13(15)16-4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1
InChIKeyKKVATOARLSCYPA-GFCCVEGCSA-N
MW227.35 g/mol
LogP2.62
Rot. Bonds9

About methyl (2R)-2-(dimethylamino)dec-9-enoate

methyl (2R)-2-(dimethylamino)dec-9-enoate (PubChem CID 58307960) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl (2R)-2-(dimethylamino)dec-9-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-(dimethylamino)dec-9-enoate
PubChem CID58307960
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl (2R)-2-(dimethylamino)dec-9-enoate
SMILESC=CCCCCCC[C@H](C(=O)OC)N(C)C
InChIInChI=1S/C13H25NO2/c1-5-6-7-8-9-10-11-12(14(2)3)13(15)16-4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1
InChIKeyKKVATOARLSCYPA-GFCCVEGCSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-Decenoylcholine
CID 22155840
methyl N,N-dimethylaminoundecanoate
CID 129727250
methyl N,N-dimethylaminododecanoate
CID 129727949
Methyl 2-(diethylamino)-3-ethenylideneheptanoate
CID 12548498
Methyl 1-methyl-6-prop-2-enylpiperidine-2-carboxylate
CID 21363742
Methyl 2-(dimethylamino)-2-pent-4-enylhept-6-enoate
CID 58307938
methyl (2S)-2-(dimethylamino)-2-methyloct-7-enoate
CID 58307939
Methyl 2-(dimethylamino)hept-6-enoate
CID 58307942
Methyl 2-(dimethylamino)-2-methyldec-9-enoate
CID 58307945
Methyl 2-(dimethylamino)non-8-enoate
CID 58307946
methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
CID 58307948
Methyl 2-(dimethylamino)-2-hept-6-enylnon-8-enoate
CID 58307949

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(dimethylamino)dec-9-enoate?
The IUPAC name of methyl (2R)-2-(dimethylamino)dec-9-enoate (CID 58307960) is methyl (2R)-2-(dimethylamino)dec-9-enoate.
What is the SMILES notation for methyl (2R)-2-(dimethylamino)dec-9-enoate?
The canonical SMILES for methyl (2R)-2-(dimethylamino)dec-9-enoate is C=CCCCCCC[C@H](C(=O)OC)N(C)C.
What is the InChIKey of methyl (2R)-2-(dimethylamino)dec-9-enoate?
The InChIKey is KKVATOARLSCYPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-6-7-8-9-10-11-12(14(2)3)13(15)16-4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(dimethylamino)dec-9-enoate?
methyl (2R)-2-(dimethylamino)dec-9-enoate has a molecular weight of 227.35 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(dimethylamino)dec-9-enoate is sourced from PubChem (CID 58307960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).