5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate

C15H29NO5 — CID 121464511

IUPAC5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate
SMILESCOCCOC(=O)C(C)(C)CC(C)C(=O)OCCN(C)C
InChIInChI=1S/C15H29NO5/c1-12(13(17)20-8-7-16(4)5)11-15(2,3)14(18)21-10-9-19-6/h12H,7-11H2,1-6H3
InChIKeyFFDNHDDBEKGYDL-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.33
Rot. Bonds10

About 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate

5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate (PubChem CID 121464511) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate.

Molecular Properties

Compound Name5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate
PubChem CID121464511
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate
SMILESCOCCOC(=O)C(C)(C)CC(C)C(=O)OCCN(C)C
InChIInChI=1S/C15H29NO5/c1-12(13(17)20-8-7-16(4)5)11-15(2,3)14(18)21-10-9-19-6/h12H,7-11H2,1-6H3
InChIKeyFFDNHDDBEKGYDL-UHFFFAOYSA-N
XLogP1.33
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate?
The IUPAC name of 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate (CID 121464511) is 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate.
What is the SMILES notation for 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate?
The canonical SMILES for 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate is COCCOC(=O)C(C)(C)CC(C)C(=O)OCCN(C)C.
What is the InChIKey of 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate?
The InChIKey is FFDNHDDBEKGYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-12(13(17)20-8-7-16(4)5)11-15(2,3)14(18)21-10-9-19-6/h12H,7-11H2,1-6H3.
What are the key properties of 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate?
5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate has a molecular weight of 303.40 g/mol, XLogP of 1.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-[2-(dimethylamino)ethyl] 1-O-(2-methoxyethyl) 2,2,4-trimethylpentanedioate is sourced from PubChem (CID 121464511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).