methyl 2-(dimethylamino)-2-methyldec-9-enoate

C14H27NO2 — CID 58307945

IUPACmethyl 2-(dimethylamino)-2-methyldec-9-enoate
SMILESC=CCCCCCCC(C)(C(=O)OC)N(C)C
InChIInChI=1S/C14H27NO2/c1-6-7-8-9-10-11-12-14(2,15(3)4)13(16)17-5/h6H,1,7-12H2,2-5H3
InChIKeyDRUIJFBMLBBDFP-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.01
Rot. Bonds9

About methyl 2-(dimethylamino)-2-methyldec-9-enoate

methyl 2-(dimethylamino)-2-methyldec-9-enoate (PubChem CID 58307945) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-methyldec-9-enoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-methyldec-9-enoate
PubChem CID58307945
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-(dimethylamino)-2-methyldec-9-enoate
SMILESC=CCCCCCCC(C)(C(=O)OC)N(C)C
InChIInChI=1S/C14H27NO2/c1-6-7-8-9-10-11-12-14(2,15(3)4)13(16)17-5/h6H,1,7-12H2,2-5H3
InChIKeyDRUIJFBMLBBDFP-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.01
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 2-(dimethylamino)-2-methyldec-9-enoate?
The IUPAC name of methyl 2-(dimethylamino)-2-methyldec-9-enoate (CID 58307945) is methyl 2-(dimethylamino)-2-methyldec-9-enoate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-methyldec-9-enoate?
The canonical SMILES for methyl 2-(dimethylamino)-2-methyldec-9-enoate is C=CCCCCCCC(C)(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-methyldec-9-enoate?
The InChIKey is DRUIJFBMLBBDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-7-8-9-10-11-12-14(2,15(3)4)13(16)17-5/h6H,1,7-12H2,2-5H3.
What are the key properties of methyl 2-(dimethylamino)-2-methyldec-9-enoate?
methyl 2-(dimethylamino)-2-methyldec-9-enoate has a molecular weight of 241.37 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-methyldec-9-enoate is sourced from PubChem (CID 58307945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).