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

C15H29NO4 — CID 89357987

IUPAC1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate
SMILESCCOC(=O)C(C)(C)CC(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C15H29NO4/c1-8-19-12(17)14(2,3)11-15(4,5)13(18)20-10-9-16(6)7/h8-11H2,1-7H3
InChIKeyOSHSGPMIVVTBNZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.10
Rot. Bonds8

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

1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate (PubChem CID 89357987) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate.

Molecular Properties

Compound Name1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate
PubChem CID89357987
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate
SMILESCCOC(=O)C(C)(C)CC(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C15H29NO4/c1-8-19-12(17)14(2,3)11-15(4,5)13(18)20-10-9-16(6)7/h8-11H2,1-7H3
InChIKeyOSHSGPMIVVTBNZ-UHFFFAOYSA-N
XLogP2.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate?
The IUPAC name of 1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate (CID 89357987) is 1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate.
What is the SMILES notation for 1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate?
The canonical SMILES for 1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate is CCOC(=O)C(C)(C)CC(C)(C)C(=O)OCCN(C)C.
What is the InChIKey of 1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate?
The InChIKey is OSHSGPMIVVTBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-8-19-12(17)14(2,3)11-15(4,5)13(18)20-10-9-16(6)7/h8-11H2,1-7H3.
What are the key properties of 1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate?
1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate has a molecular weight of 287.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2,2,4,4-tetramethylpentanedioate is sourced from PubChem (CID 89357987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).