8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine

C22H45NO3Sn — CID 146161536

IUPAC8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCC[Sn](CCCC)(CCCC)COCC1(N)CCC2(CC1)OCCO2
InChIInChI=1S/C10H18NO3.3C4H9.Sn/c1-12-8-9(11)2-4-10(5-3-9)13-6-7-14-10;3*1-3-4-2;/h1-8,11H2;3*1,3-4H2,2H3;
InChIKeyOEYDHAVRVUSJQA-UHFFFAOYSA-N
MW490.32 g/mol
LogP5.41
Rot. Bonds13

About 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine

8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 146161536) has the molecular formula C22H45NO3Sn and a molecular weight of 490.32 g/mol. Its IUPAC name is 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID146161536
Molecular FormulaC22H45NO3Sn
Molecular Weight490.32 g/mol
Exact Mass491.24
IUPAC Name8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCC[Sn](CCCC)(CCCC)COCC1(N)CCC2(CC1)OCCO2
InChIInChI=1S/C10H18NO3.3C4H9.Sn/c1-12-8-9(11)2-4-10(5-3-9)13-6-7-14-10;3*1-3-4-2;/h1-8,11H2;3*1,3-4H2,2H3;
InChIKeyOEYDHAVRVUSJQA-UHFFFAOYSA-N
XLogP5.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.32
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 146161536) is 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine is CCCC[Sn](CCCC)(CCCC)COCC1(N)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OEYDHAVRVUSJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO3.3C4H9.Sn/c1-12-8-9(11)2-4-10(5-3-9)13-6-7-14-10;3*1-3-4-2;/h1-8,11H2;3*1,3-4H2,2H3;.
What are the key properties of 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 490.32 g/mol, XLogP of 5.41, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tributylstannylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 146161536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).