1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one

C20H41N3O6Si — CID 161416676

IUPAC1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one
SMILESC[Si](C)(C)CCCC(=O)CCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C20H41N3O6Si/c1-30(2,3)19-5-7-20(24)6-4-9-25-11-13-27-15-17-29-18-16-28-14-12-26-10-8-22-23-21/h4-19H2,1-3H3
InChIKeyYYHDKTZBOROKLR-UHFFFAOYSA-N
MW447.65 g/mol
LogP3.85
Rot. Bonds23

About 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one

1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one (PubChem CID 161416676) has the molecular formula C20H41N3O6Si and a molecular weight of 447.65 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one
PubChem CID161416676
Molecular FormulaC20H41N3O6Si
Molecular Weight447.65 g/mol
Exact Mass447.28
IUPAC Name1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one
SMILESC[Si](C)(C)CCCC(=O)CCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C20H41N3O6Si/c1-30(2,3)19-5-7-20(24)6-4-9-25-11-13-27-15-17-29-18-16-28-14-12-26-10-8-22-23-21/h4-19H2,1-3H3
InChIKeyYYHDKTZBOROKLR-UHFFFAOYSA-N
XLogP3.85
TPSA111.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574
1-(2-azidoethoxy)-7-methyloctan-4-one
CID 163475475
5-(2-azidoethoxy)pentan-2-one
CID 167591449
(4S)-10-[2-(2-azidoethoxy)ethoxy]-2-methyl-4-(propan-2-ylamino)decane-3,7-dione
CID 163764049
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
CID 170113917
3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078450
3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59103378
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
ethyl 7-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]heptanoate
CID 163846395
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one?
The IUPAC name of 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one (CID 161416676) is 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one?
The canonical SMILES for 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one is C[Si](C)(C)CCCC(=O)CCCOCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one?
The InChIKey is YYHDKTZBOROKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O6Si/c1-30(2,3)19-5-7-20(24)6-4-9-25-11-13-27-15-17-29-18-16-28-14-12-26-10-8-22-23-21/h4-19H2,1-3H3.
What are the key properties of 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one?
1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one has a molecular weight of 447.65 g/mol, XLogP of 3.85, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-7-trimethylsilylheptan-4-one is sourced from PubChem (CID 161416676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).