2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate

C18H29NO4 — CID 59116281

IUPAC2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate
SMILESCCC(CC(C)(C)C(=O)OCCOCCOC)c1ccncc1
InChIInChI=1S/C18H29NO4/c1-5-15(16-6-8-19-9-7-16)14-18(2,3)17(20)23-13-12-22-11-10-21-4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyALSLWEXYRYXIFZ-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.20
Rot. Bonds11

About 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate

2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate (PubChem CID 59116281) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate
PubChem CID59116281
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate
SMILESCCC(CC(C)(C)C(=O)OCCOCCOC)c1ccncc1
InChIInChI=1S/C18H29NO4/c1-5-15(16-6-8-19-9-7-16)14-18(2,3)17(20)23-13-12-22-11-10-21-4/h6-9,15H,5,10-14H2,1-4H3
InChIKeyALSLWEXYRYXIFZ-UHFFFAOYSA-N
XLogP3.20
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate (CID 59116281) is 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate is CCC(CC(C)(C)C(=O)OCCOCCOC)c1ccncc1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate?
The InChIKey is ALSLWEXYRYXIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-15(16-6-8-19-9-7-16)14-18(2,3)17(20)23-13-12-22-11-10-21-4/h6-9,15H,5,10-14H2,1-4H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate?
2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate has a molecular weight of 323.43 g/mol, XLogP of 3.20, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2,2-dimethyl-4-pyridin-4-ylhexanoate is sourced from PubChem (CID 59116281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).