methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate

C19H38O2Sn — CID 139263828

IUPACmethyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
SMILESCCCC[Sn](/C=C\C(C)CC(=O)OC)(CCCC)CCCC
InChIInChI=1S/C7H11O2.3C4H9.Sn/c1-4-6(2)5-7(8)9-3;3*1-3-4-2;/h1,4,6H,5H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyPMOLYKWDSBZAKO-UHFFFAOYSA-N
MW417.22 g/mol
LogP6.13
Rot. Bonds13

About methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate

methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate (PubChem CID 139263828) has the molecular formula C19H38O2Sn and a molecular weight of 417.22 g/mol. Its IUPAC name is methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
PubChem CID139263828
Molecular FormulaC19H38O2Sn
Molecular Weight417.22 g/mol
Exact Mass418.19
IUPAC Namemethyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
SMILESCCCC[Sn](/C=C\C(C)CC(=O)OC)(CCCC)CCCC
InChIInChI=1S/C7H11O2.3C4H9.Sn/c1-4-6(2)5-7(8)9-3;3*1-3-4-2;/h1,4,6H,5H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyPMOLYKWDSBZAKO-UHFFFAOYSA-N
XLogP6.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.22
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E)-3-methylnon-4-enoate
CID 14170346
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699
dimethyl 2-[(E)-3-tributylstannylprop-2-enyl]propanedioate
CID 177384195
tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane
CID 50993250
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tributyl-[(1E,3S,5E,7S,8R,9R)-8-methoxy-9-(methoxymethoxy)-3,5,7-trimethyldeca-1,5-dienyl]stannane
CID 177472834
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
CID 14532960
methyl (Z,7R)-7-hydroxy-2-[(E,1R,2S)-1-(methoxymethoxy)-2-methyl-4-tributylstannylbut-3-enyl]oct-2-enoate
CID 11353793
methyl 3,4-dimethylpentanoate
CID 554058

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate?
The IUPAC name of methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate (CID 139263828) is methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate.
What is the SMILES notation for methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate?
The canonical SMILES for methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate is CCCC[Sn](/C=C\C(C)CC(=O)OC)(CCCC)CCCC.
What is the InChIKey of methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate?
The InChIKey is PMOLYKWDSBZAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2.3C4H9.Sn/c1-4-6(2)5-7(8)9-3;3*1-3-4-2;/h1,4,6H,5H2,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate?
methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate has a molecular weight of 417.22 g/mol, XLogP of 6.13, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate is sourced from PubChem (CID 139263828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).