methyl 2-(dimethylamino)non-8-enoate

C12H23NO2 — CID 58307946

IUPACmethyl 2-(dimethylamino)non-8-enoate
SMILESC=CCCCCCC(C(=O)OC)N(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-7-8-9-10-11(13(2)3)12(14)15-4/h5,11H,1,6-10H2,2-4H3
InChIKeyIHGQKUCEPPIQOW-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.23
Rot. Bonds8

About methyl 2-(dimethylamino)non-8-enoate

methyl 2-(dimethylamino)non-8-enoate (PubChem CID 58307946) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-(dimethylamino)non-8-enoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)non-8-enoate
PubChem CID58307946
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-(dimethylamino)non-8-enoate
SMILESC=CCCCCCC(C(=O)OC)N(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-7-8-9-10-11(13(2)3)12(14)15-4/h5,11H,1,6-10H2,2-4H3
InChIKeyIHGQKUCEPPIQOW-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.23
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

methyl (2R)-2-methylnon-8-enoate
CID 58289580
methyl (2S)-6-amino-2-(dimethylamino)hexanoate
CID 22894949
methyl (2S)-2-tert-butylnon-8-enoate
CID 160706565
methyl 3-methyltetradec-13-enoate
CID 22752955
methyl (3R)-3-methyltridec-12-enoate
CID 52912715
methyl (2S,3S)-3-hydroxy-2-[(Z)-prop-1-enyl]tridec-12-enoate
CID 134887141
methyl 2-(dimethylamino)octa-4,7-dienoate
CID 71318195
3-[di(hept-6-enoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 101320480
trimethyl (3S,4S)-3-hydroxytetradec-13-ene-1,3,4-tricarboxylate
CID 57333877
dimethyl 2-octa-1,7-dien-3-ylpropanedioate
CID 134981107
iodo 2-methyldec-9-enoate
CID 87697423
2-methylpropyl 2-oct-7-enyldec-9-enoate
CID 177270214

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)non-8-enoate?
The IUPAC name of methyl 2-(dimethylamino)non-8-enoate (CID 58307946) is methyl 2-(dimethylamino)non-8-enoate.
What is the SMILES notation for methyl 2-(dimethylamino)non-8-enoate?
The canonical SMILES for methyl 2-(dimethylamino)non-8-enoate is C=CCCCCCC(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)non-8-enoate?
The InChIKey is IHGQKUCEPPIQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-7-8-9-10-11(13(2)3)12(14)15-4/h5,11H,1,6-10H2,2-4H3.
What are the key properties of methyl 2-(dimethylamino)non-8-enoate?
methyl 2-(dimethylamino)non-8-enoate has a molecular weight of 213.32 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)non-8-enoate is sourced from PubChem (CID 58307946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).