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

C14H27NO4 — CID 58587058

IUPAC1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate
SMILESCOC(=O)C(C)(C)CC(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C14H27NO4/c1-13(2,11(16)18-7)10-14(3,4)12(17)19-9-8-15(5)6/h8-10H2,1-7H3
InChIKeyBWRCFUYXWAJJHL-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.71
Rot. Bonds7

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

1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate (PubChem CID 58587058) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate.

Molecular Properties

Compound Name1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate
PubChem CID58587058
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate
SMILESCOC(=O)C(C)(C)CC(C)(C)C(=O)OCCN(C)C
InChIInChI=1S/C14H27NO4/c1-13(2,11(16)18-7)10-14(3,4)12(17)19-9-8-15(5)6/h8-10H2,1-7H3
InChIKeyBWRCFUYXWAJJHL-UHFFFAOYSA-N
XLogP1.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 2,2-dimethylvalerate
CID 32511
Valeric acid, 2,2-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride
CID 212862
Valeric acid, 2,2,4,4-tetramethyl-, 2-diethylaminoethyl ester, hydrochloride
CID 214538
Bis-(2-dimethylaminoethyl) glutarate
CID 12452515
2-(Dimethylamino)ethyl 2-(fluoromethyl)-2,4,4-trimethylpentanoate
CID 144938123
2-(2,2-Dimethylpentanoyloxy)ethyl-diethyl-methylazanium
CID 32512
2-(Diethylamino)ethyl 2,2-dimethylpentanoate
CID 212863
2-(Diethylamino)ethyl 2,2,4,4-tetramethylpentanoate
CID 214539
2-(4-Carboxypentanoyloxy)ethyl-(fluoromethyl)-dimethylazanium
CID 170721393
2-(Diethylamino)ethyl 4,4-dimethylpentanoate
CID 3041814
Trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium
CID 3089287
Bis[2-(dimethylamino)ethyl] pentanedioate;dihydrochloride
CID 12452516

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate?
The IUPAC name of 1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate (CID 58587058) is 1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate.
What is the SMILES notation for 1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate?
The canonical SMILES for 1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate is COC(=O)C(C)(C)CC(C)(C)C(=O)OCCN(C)C.
What is the InChIKey of 1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate?
The InChIKey is BWRCFUYXWAJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-13(2,11(16)18-7)10-14(3,4)12(17)19-9-8-15(5)6/h8-10H2,1-7H3.
What are the key properties of 1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate?
1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4,4-tetramethylpentanedioate has a molecular weight of 273.37 g/mol, XLogP of 1.71, 7 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-methyl 2,2,4,4-tetramethylpentanedioate is sourced from PubChem (CID 58587058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).