(butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate

C22H42O5Sn2 — CID 87864364

IUPAC(butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate
SMILESC=CC(=O)O[Sn](CCCC)(OC(=O)C=C)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/4C4H9.2C3H4O2.O.2Sn/c4*1-3-4-2;2*1-2-3(4)5;;;/h4*1,3-4H2,2H3;2*2H,1H2,(H,4,5);;;/q;;;;;;;;+2/p-2
InChIKeyUHYDFKDFYURSDW-UHFFFAOYSA-L
MW624.00 g/mol
LogP6.55
Rot. Bonds18

About (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate

(butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate (PubChem CID 87864364) has the molecular formula C22H42O5Sn2 and a molecular weight of 624.00 g/mol. Its IUPAC name is (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate.

Molecular Properties

Compound Name(butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate
PubChem CID87864364
Molecular FormulaC22H42O5Sn2
Molecular Weight624.00 g/mol
Exact Mass626.11
IUPAC Name(butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate
SMILESC=CC(=O)O[Sn](CCCC)(OC(=O)C=C)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/4C4H9.2C3H4O2.O.2Sn/c4*1-3-4-2;2*1-2-3(4)5;;;/h4*1,3-4H2,2H3;2*2H,1H2,(H,4,5);;;/q;;;;;;;;+2/p-2
InChIKeyUHYDFKDFYURSDW-UHFFFAOYSA-L
XLogP6.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.00
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trihexylstannyl prop-2-enoate
CID 71366207
bis(tributylstannyl) (Z)-but-2-enedioate
CID 16682777
4-O-[butyl-bis[(4-ethoxy-4-oxobut-2-enoyl)oxy]stannyl] 1-O-ethyl but-2-enedioate
CID 53428600
tributyl-[butyl(dipentoxy)stannyl]oxystannane
CID 87861161
4-O-[butyl-bis[[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxy]stannyl] 1-O-tetradecyl but-2-enedioate
CID 139597082
1-O-butyl 4-O-tributylstannyl but-2-enedioate
CID 16684816
[butyl(diethyl)stannyl] 2-methylprop-2-enoate
CID 173373063
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283

Frequently Asked Questions

What is the IUPAC name of (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate?
The IUPAC name of (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate (CID 87864364) is (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate.
What is the SMILES notation for (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate?
The canonical SMILES for (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate is C=CC(=O)O[Sn](CCCC)(OC(=O)C=C)O[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate?
The InChIKey is UHYDFKDFYURSDW-UHFFFAOYSA-L. The full InChI is InChI=1S/4C4H9.2C3H4O2.O.2Sn/c4*1-3-4-2;2*1-2-3(4)5;;;/h4*1,3-4H2,2H3;2*2H,1H2,(H,4,5);;;/q;;;;;;;;+2/p-2.
What are the key properties of (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate?
(butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate has a molecular weight of 624.00 g/mol, XLogP of 6.55, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate is sourced from PubChem (CID 87864364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).