1-azidoheptan-2-yloxymethyl(tributyl)stannane

C20H43N3OSn — CID 11026917

IUPAC1-azidoheptan-2-yloxymethyl(tributyl)stannane
SMILESCCCCCC(CN=[N+]=[N-])OC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H16N3O.3C4H9.Sn/c1-3-4-5-6-8(12-2)7-10-11-9;3*1-3-4-2;/h8H,2-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyBREUFSPLQNRNKS-UHFFFAOYSA-N
MW460.30 g/mol
LogP7.65
Rot. Bonds18

About 1-azidoheptan-2-yloxymethyl(tributyl)stannane

1-azidoheptan-2-yloxymethyl(tributyl)stannane (PubChem CID 11026917) has the molecular formula C20H43N3OSn and a molecular weight of 460.30 g/mol. Its IUPAC name is 1-azidoheptan-2-yloxymethyl(tributyl)stannane.

Molecular Properties

Compound Name1-azidoheptan-2-yloxymethyl(tributyl)stannane
PubChem CID11026917
Molecular FormulaC20H43N3OSn
Molecular Weight460.30 g/mol
Exact Mass461.24
IUPAC Name1-azidoheptan-2-yloxymethyl(tributyl)stannane
SMILESCCCCCC(CN=[N+]=[N-])OC[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H16N3O.3C4H9.Sn/c1-3-4-5-6-8(12-2)7-10-11-9;3*1-3-4-2;/h8H,2-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyBREUFSPLQNRNKS-UHFFFAOYSA-N
XLogP7.65
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.30
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tributyl(dec-1-en-4-yloxymethyl)stannane
CID 71337213
1-azidohexan-2-ol
CID 11171039
1-azido-2-bromohexane
CID 134993142
4-icosan-4-yloxyicosane
CID 87313284
1-azidooctane;hydrochloride
CID 175871639
2-azido-N-heptan-2-ylacetamide
CID 61374566
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
4-hexadecan-5-yloxyhexadecane
CID 57069400
6,7-diazidododecane
CID 122603304
tripentadecan-6-yl phosphite
CID 87207088
3-pentadecan-3-yloxypentadecane
CID 57200588

Frequently Asked Questions

What is the IUPAC name of 1-azidoheptan-2-yloxymethyl(tributyl)stannane?
The IUPAC name of 1-azidoheptan-2-yloxymethyl(tributyl)stannane (CID 11026917) is 1-azidoheptan-2-yloxymethyl(tributyl)stannane.
What is the SMILES notation for 1-azidoheptan-2-yloxymethyl(tributyl)stannane?
The canonical SMILES for 1-azidoheptan-2-yloxymethyl(tributyl)stannane is CCCCCC(CN=[N+]=[N-])OC[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 1-azidoheptan-2-yloxymethyl(tributyl)stannane?
The InChIKey is BREUFSPLQNRNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3O.3C4H9.Sn/c1-3-4-5-6-8(12-2)7-10-11-9;3*1-3-4-2;/h8H,2-7H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of 1-azidoheptan-2-yloxymethyl(tributyl)stannane?
1-azidoheptan-2-yloxymethyl(tributyl)stannane has a molecular weight of 460.30 g/mol, XLogP of 7.65, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidoheptan-2-yloxymethyl(tributyl)stannane is sourced from PubChem (CID 11026917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).