1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one

C15H31NO5 — CID 166662752

IUPAC1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCOCCOCCNC(C)(C)C
InChIInChI=1S/C15H31NO5/c1-14(17)13-21-12-11-20-10-9-19-8-7-18-6-5-16-15(2,3)4/h16H,5-13H2,1-4H3
InChIKeyVBSVADCSRUMGDH-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.03
Rot. Bonds14

About 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one

1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one (PubChem CID 166662752) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
PubChem CID166662752
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Name1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCOCCOCCNC(C)(C)C
InChIInChI=1S/C15H31NO5/c1-14(17)13-21-12-11-20-10-9-19-8-7-18-6-5-16-15(2,3)4/h16H,5-13H2,1-4H3
InChIKeyVBSVADCSRUMGDH-UHFFFAOYSA-N
XLogP1.03
TPSA66.02 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 ≤ 51.03
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

4-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 177194352
1-[2-[2-(tert-butylamino)ethoxy]ethoxy]-3-methylbutan-2-one
CID 138460886
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
1-[2-[2-[2-[2-(iodoamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 134579487
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266
N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 156551208
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
2-methyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138466955
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one?
The IUPAC name of 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one (CID 166662752) is 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one.
What is the SMILES notation for 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one?
The canonical SMILES for 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one is CC(=O)COCCOCCOCCOCCNC(C)(C)C.
What is the InChIKey of 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one?
The InChIKey is VBSVADCSRUMGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5/c1-14(17)13-21-12-11-20-10-9-19-8-7-18-6-5-16-15(2,3)4/h16H,5-13H2,1-4H3.
What are the key properties of 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one?
1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one has a molecular weight of 305.42 g/mol, XLogP of 1.03, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one is sourced from PubChem (CID 166662752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).