methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate

C25H50O4SiSn — CID 10507100

IUPACmethyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(COC1CCCCO1)=C(/C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H23O4Si.3C4H9.Sn/c1-15-13(14)11(18(2,3)4)8-10-17-12-7-5-6-9-16-12;3*1-3-4-2;/h12H,5-7,9-10H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyMRGVARDNFWMGJO-UHFFFAOYSA-N
MW561.47 g/mol
LogP7.26
Rot. Bonds15

About methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate

methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate (PubChem CID 10507100) has the molecular formula C25H50O4SiSn and a molecular weight of 561.47 g/mol. Its IUPAC name is methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate
PubChem CID10507100
Molecular FormulaC25H50O4SiSn
Molecular Weight561.47 g/mol
Exact Mass562.25
IUPAC Namemethyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(COC1CCCCO1)=C(/C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H23O4Si.3C4H9.Sn/c1-15-13(14)11(18(2,3)4)8-10-17-12-7-5-6-9-16-12;3*1-3-4-2;/h12H,5-7,9-10H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyMRGVARDNFWMGJO-UHFFFAOYSA-N
XLogP7.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.47
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-4-(oxan-2-yloxy)-3-tributylstannylbut-2-enoate
CID 11081459
methyl (Z)-4-(oxan-2-yloxy)-2,3-bis(tributylstannyl)but-2-enoate
CID 10676696
methyl (Z)-4-(oxan-2-yloxy)-2-tributylstannyl-3-trimethylsilylbut-2-enoate
CID 10626706
methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate
CID 177400005

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate?
The IUPAC name of methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate (CID 10507100) is methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate is CCCC[Sn](CCCC)(CCCC)/C(COC1CCCCO1)=C(/C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate?
The InChIKey is MRGVARDNFWMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23O4Si.3C4H9.Sn/c1-15-13(14)11(18(2,3)4)8-10-17-12-7-5-6-9-16-12;3*1-3-4-2;/h12H,5-7,9-10H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate?
methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate has a molecular weight of 561.47 g/mol, XLogP of 7.26, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate is sourced from PubChem (CID 10507100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).