dibutoxy-isocyanato-propylstannane

C12H25NO3Sn — CID 22280282

IUPACdibutoxy-isocyanato-propylstannane
SMILESCCCCO[Sn](CCC)(N=C=O)OCCCC
InChIInChI=1S/2C4H9O.C3H7.CNO.Sn/c2*1-2-3-4-5;1-3-2;2-1-3;/h2*2-4H2,1H3;1,3H2,2H3;;/q2*-1;;-1;+3
InChIKeyKZOMSKLGAUREMF-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.30
Rot. Bonds11

About dibutoxy-isocyanato-propylstannane

dibutoxy-isocyanato-propylstannane (PubChem CID 22280282) has the molecular formula C12H25NO3Sn and a molecular weight of 350.05 g/mol. Its IUPAC name is dibutoxy-isocyanato-propylstannane.

Molecular Properties

Compound Namedibutoxy-isocyanato-propylstannane
PubChem CID22280282
Molecular FormulaC12H25NO3Sn
Molecular Weight350.05 g/mol
Exact Mass351.09
IUPAC Namedibutoxy-isocyanato-propylstannane
SMILESCCCCO[Sn](CCC)(N=C=O)OCCCC
InChIInChI=1S/2C4H9O.C3H7.CNO.Sn/c2*1-2-3-4-5;1-3-2;2-1-3;/h2*2-4H2,1H3;1,3H2,2H3;;/q2*-1;;-1;+3
InChIKeyKZOMSKLGAUREMF-UHFFFAOYSA-N
XLogP3.30
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

tribromo(butoxy)stannane
CID 22477101
N-methyl-3-tributoxystannylpropan-1-amine
CID 139813007
tributoxy(ethenyl)stannane
CID 170791032
trioctyl(pentoxy)stannane
CID 87643879
dibutyl-di(nonoxy)stannane
CID 87642820
CID 173164539
CID 173164539
triisocyanato(octadecoxy)silane
CID 71324874
butyl 2-isocyanato-3-methylbutanoate
CID 89171487
1-butylperoxybutane
CID 159275797
CID 141005628
CID 141005628
dibutyl-ethyl-nonoxystannane
CID 87372414
butyl-(butyl-methyl-pentoxystannyl)oxy-methyl-pentoxystannane
CID 23115045

Frequently Asked Questions

What is the IUPAC name of dibutoxy-isocyanato-propylstannane?
The IUPAC name of dibutoxy-isocyanato-propylstannane (CID 22280282) is dibutoxy-isocyanato-propylstannane.
What is the SMILES notation for dibutoxy-isocyanato-propylstannane?
The canonical SMILES for dibutoxy-isocyanato-propylstannane is CCCCO[Sn](CCC)(N=C=O)OCCCC.
What is the InChIKey of dibutoxy-isocyanato-propylstannane?
The InChIKey is KZOMSKLGAUREMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.C3H7.CNO.Sn/c2*1-2-3-4-5;1-3-2;2-1-3;/h2*2-4H2,1H3;1,3H2,2H3;;/q2*-1;;-1;+3.
What are the key properties of dibutoxy-isocyanato-propylstannane?
dibutoxy-isocyanato-propylstannane has a molecular weight of 350.05 g/mol, XLogP of 3.30, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-isocyanato-propylstannane is sourced from PubChem (CID 22280282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).