(7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine

C21H43NO3Sn — CID 146161539

IUPAC(7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@@H]1CC2(CC[C@H]1N)OCCO2
InChIInChI=1S/C9H16NO3.3C4H9.Sn/c1-11-8-6-9(3-2-7(8)10)12-4-5-13-9;3*1-3-4-2;/h7-8H,1-6,10H2;3*1,3-4H2,2H3;/t7-,8-;;;;/m1..../s1
InChIKeyVXVSRRDKUHQIMO-PCZIFVQPSA-N
MW476.29 g/mol
LogP5.01
Rot. Bonds12

About (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine

(7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 146161539) has the molecular formula C21H43NO3Sn and a molecular weight of 476.29 g/mol. Its IUPAC name is (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name(7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID146161539
Molecular FormulaC21H43NO3Sn
Molecular Weight476.29 g/mol
Exact Mass477.23
IUPAC Name(7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCC[Sn](CCCC)(CCCC)CO[C@@H]1CC2(CC[C@H]1N)OCCO2
InChIInChI=1S/C9H16NO3.3C4H9.Sn/c1-11-8-6-9(3-2-7(8)10)12-4-5-13-9;3*1-3-4-2;/h7-8H,1-6,10H2;3*1,3-4H2,2H3;/t7-,8-;;;;/m1..../s1
InChIKeyVXVSRRDKUHQIMO-PCZIFVQPSA-N
XLogP5.01
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.29
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 146161539) is (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is CCCC[Sn](CCCC)(CCCC)CO[C@@H]1CC2(CC[C@H]1N)OCCO2.
What is the InChIKey of (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is VXVSRRDKUHQIMO-PCZIFVQPSA-N. The full InChI is InChI=1S/C9H16NO3.3C4H9.Sn/c1-11-8-6-9(3-2-7(8)10)12-4-5-13-9;3*1-3-4-2;/h7-8H,1-6,10H2;3*1,3-4H2,2H3;/t7-,8-;;;;/m1..../s1.
What are the key properties of (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
(7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 476.29 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-7-(tributylstannylmethoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 146161539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).