2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate

C15H31NO5 — CID 104562890

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate
SMILESCOCCOCCOCCOC(=O)CCC(C)(C)CCN
InChIInChI=1S/C15H31NO5/c1-15(2,6-7-16)5-4-14(17)21-13-12-20-11-10-19-9-8-18-3/h4-13,16H2,1-3H3
InChIKeyVNDSTXKBTDWLON-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.36
Rot. Bonds14

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate (PubChem CID 104562890) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate
PubChem CID104562890
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate
SMILESCOCCOCCOCCOC(=O)CCC(C)(C)CCN
InChIInChI=1S/C15H31NO5/c1-15(2,6-7-16)5-4-14(17)21-13-12-20-11-10-19-9-8-18-3/h4-13,16H2,1-3H3
InChIKeyVNDSTXKBTDWLON-UHFFFAOYSA-N
XLogP1.36
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
CID 65285025
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
pentyl 6-amino-4,4-dimethylhexanoate
CID 65285428
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
5-(2-methoxyethoxy)-2,2-dimethyl-5-oxopentanoic acid
CID 135339214
2-(3-methoxypropoxy)ethyl 6-aminohexanoate
CID 103178476
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
2-methoxyethyl 4,4,4-trifluoro-3-oxobutanoate
CID 139223532
6-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4,4-dimethylhexanamide
CID 65290444
2-(2-methoxyethoxy)ethyl 4-anilinobutanoate
CID 104563449
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-[2-[3-[2-[(2-aminoacetyl)amino]-3-[3-[[1,3-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-oxopropoxy]-2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]-2-[[3-[[1,3-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-oxopropoxy]-2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-oxopropoxy]-2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 101037163

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate (CID 104562890) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate is COCCOCCOCCOC(=O)CCC(C)(C)CCN.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate?
The InChIKey is VNDSTXKBTDWLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5/c1-15(2,6-7-16)5-4-14(17)21-13-12-20-11-10-19-9-8-18-3/h4-13,16H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate has a molecular weight of 305.42 g/mol, XLogP of 1.36, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 6-amino-4,4-dimethylhexanoate is sourced from PubChem (CID 104562890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).