tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane

C18H38OSSn — CID 177404694

IUPACtributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane
SMILESC=C(COCSC)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H11OS.3C4H9.Sn/c1-6(2)4-7-5-8-3;3*1-3-4-2;/h1-2,4-5H2,3H3;3*1,3-4H2,2H3;
InChIKeyYSPHPEVOTHLHCT-UHFFFAOYSA-N
MW421.28 g/mol
LogP6.73
Rot. Bonds15

About tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane

tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane (PubChem CID 177404694) has the molecular formula C18H38OSSn and a molecular weight of 421.28 g/mol. Its IUPAC name is tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane
PubChem CID177404694
Molecular FormulaC18H38OSSn
Molecular Weight421.28 g/mol
Exact Mass422.17
IUPAC Nametributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane
SMILESC=C(COCSC)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H11OS.3C4H9.Sn/c1-6(2)4-7-5-8-3;3*1-3-4-2;/h1-2,4-5H2,3H3;3*1,3-4H2,2H3;
InChIKeyYSPHPEVOTHLHCT-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.28
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(tributylstannylmethyl)but-3-enoate
CID 10982626
tetrabutylstannane
CID 160899301
4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol
CID 15326980
tributyl(2,3-dimethylbut-2-enyl)stannane
CID 14226850
tributyl-(1,1-difluoro-3-tributylstannylprop-1-en-2-yl)stannane
CID 10032272
1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
tetrabutylstannane;hydrate
CID 87560971
prop-2-enyl 2-tributylstannylacetate
CID 13096282
methane;1-(methylsulfanylmethoxy)propane
CID 162178980
tributyl(hexadecyl)stannane
CID 174658060
lithium tributyl(propyl)stannane
CID 11348350
(2S)-1-(tributylstannylmethoxy)propan-2-amine
CID 91667243

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane?
The IUPAC name of tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane (CID 177404694) is tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane.
What is the SMILES notation for tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane?
The canonical SMILES for tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane is C=C(COCSC)C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane?
The InChIKey is YSPHPEVOTHLHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11OS.3C4H9.Sn/c1-6(2)4-7-5-8-3;3*1-3-4-2;/h1-2,4-5H2,3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane?
tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane has a molecular weight of 421.28 g/mol, XLogP of 6.73, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane is sourced from PubChem (CID 177404694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).