methyl (2S)-2-(dimethylamino)oct-7-enoate

C11H21NO2 — CID 58307958

IUPACmethyl (2S)-2-(dimethylamino)oct-7-enoate
SMILESC=CCCCC[C@@H](C(=O)OC)N(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-10(12(2)3)11(13)14-4/h5,10H,1,6-9H2,2-4H3/t10-/m0/s1
InChIKeyVOBVZTNUDAKUIN-JTQLQIEISA-N
MW199.29 g/mol
LogP1.84
Rot. Bonds7

About methyl (2S)-2-(dimethylamino)oct-7-enoate

methyl (2S)-2-(dimethylamino)oct-7-enoate (PubChem CID 58307958) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl (2S)-2-(dimethylamino)oct-7-enoate.

Molecular Properties

Compound Namemethyl (2S)-2-(dimethylamino)oct-7-enoate
PubChem CID58307958
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl (2S)-2-(dimethylamino)oct-7-enoate
SMILESC=CCCCC[C@@H](C(=O)OC)N(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-10(12(2)3)11(13)14-4/h5,10H,1,6-9H2,2-4H3/t10-/m0/s1
InChIKeyVOBVZTNUDAKUIN-JTQLQIEISA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(dimethylamino)oct-7-enoate?
The IUPAC name of methyl (2S)-2-(dimethylamino)oct-7-enoate (CID 58307958) is methyl (2S)-2-(dimethylamino)oct-7-enoate.
What is the SMILES notation for methyl (2S)-2-(dimethylamino)oct-7-enoate?
The canonical SMILES for methyl (2S)-2-(dimethylamino)oct-7-enoate is C=CCCCC[C@@H](C(=O)OC)N(C)C.
What is the InChIKey of methyl (2S)-2-(dimethylamino)oct-7-enoate?
The InChIKey is VOBVZTNUDAKUIN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-9-10(12(2)3)11(13)14-4/h5,10H,1,6-9H2,2-4H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-(dimethylamino)oct-7-enoate?
methyl (2S)-2-(dimethylamino)oct-7-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(dimethylamino)oct-7-enoate is sourced from PubChem (CID 58307958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).