1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt

C9H18CoNO3- — CID 168904069

IUPAC1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt
SMILESC[C-](C)C(=O)COCCOCCN.[Co]
InChIInChI=1S/C9H18NO3.Co/c1-8(2)9(11)7-13-6-5-12-4-3-10;/h3-7,10H2,1-2H3;/q-1;
InChIKeyDXEVIKYHAMOIFR-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.16
Rot. Bonds8

About 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt

1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt (PubChem CID 168904069) has the molecular formula C9H18CoNO3- and a molecular weight of 247.18 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt
PubChem CID168904069
Molecular FormulaC9H18CoNO3-
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt
SMILESC[C-](C)C(=O)COCCOCCN.[Co]
InChIInChI=1S/C9H18NO3.Co/c1-8(2)9(11)7-13-6-5-12-4-3-10;/h3-7,10H2,1-2H3;/q-1;
InChIKeyDXEVIKYHAMOIFR-UHFFFAOYSA-N
XLogP0.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
CID 142879742
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 23086951
1-(2-aminoethoxy)butan-2-one
CID 116590811
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetaldehyde;ethane
CID 142368342
1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane
CID 142338769
1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one;ethane;molecular hydrogen
CID 176567607
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-[2-(2-aminoethoxy)ethoxy]ethanamine;butanediamide
CID 87072841
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt?
The IUPAC name of 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt (CID 168904069) is 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt is C[C-](C)C(=O)COCCOCCN.[Co].
What is the InChIKey of 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt?
The InChIKey is DXEVIKYHAMOIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3.Co/c1-8(2)9(11)7-13-6-5-12-4-3-10;/h3-7,10H2,1-2H3;/q-1;.
What are the key properties of 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt?
1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt has a molecular weight of 247.18 g/mol, XLogP of 0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-one;cobalt is sourced from PubChem (CID 168904069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).