trihexylstannyl prop-2-enoate

C21H42O2Sn — CID 71366207

IUPACtrihexylstannyl prop-2-enoate
SMILESC=CC(=O)O[Sn](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/3C6H13.C3H4O2.Sn/c3*1-3-5-6-4-2;1-2-3(4)5;/h3*1,3-6H2,2H3;2H,1H2,(H,4,5);/q;;;;+1/p-1
InChIKeyUMIJCVAMYHVBOK-UHFFFAOYSA-M
MW445.28 g/mol
LogP7.40
Rot. Bonds17

About trihexylstannyl prop-2-enoate

trihexylstannyl prop-2-enoate (PubChem CID 71366207) has the molecular formula C21H42O2Sn and a molecular weight of 445.28 g/mol. Its IUPAC name is trihexylstannyl prop-2-enoate.

Molecular Properties

Compound Nametrihexylstannyl prop-2-enoate
PubChem CID71366207
Molecular FormulaC21H42O2Sn
Molecular Weight445.28 g/mol
Exact Mass446.22
IUPAC Nametrihexylstannyl prop-2-enoate
SMILESC=CC(=O)O[Sn](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/3C6H13.C3H4O2.Sn/c3*1-3-5-6-4-2;1-2-3(4)5;/h3*1,3-6H2,2H3;2H,1H2,(H,4,5);/q;;;;+1/p-1
InChIKeyUMIJCVAMYHVBOK-UHFFFAOYSA-M
XLogP7.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.28
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate
CID 87864364
bis(tributylstannyl) (Z)-but-2-enedioate
CID 16682777
tripentylstannyl acetate
CID 16684347
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
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
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
CID 159699669
decyl prop-2-enoate
CID 162172023
(Z)-4-oxo-4-tributylstannyloxybut-2-enoic acid
CID 16695701
tributylstannyl dodecanoate
CID 16683295

Frequently Asked Questions

What is the IUPAC name of trihexylstannyl prop-2-enoate?
The IUPAC name of trihexylstannyl prop-2-enoate (CID 71366207) is trihexylstannyl prop-2-enoate.
What is the SMILES notation for trihexylstannyl prop-2-enoate?
The canonical SMILES for trihexylstannyl prop-2-enoate is C=CC(=O)O[Sn](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of trihexylstannyl prop-2-enoate?
The InChIKey is UMIJCVAMYHVBOK-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H13.C3H4O2.Sn/c3*1-3-5-6-4-2;1-2-3(4)5;/h3*1,3-6H2,2H3;2H,1H2,(H,4,5);/q;;;;+1/p-1.
What are the key properties of trihexylstannyl prop-2-enoate?
trihexylstannyl prop-2-enoate has a molecular weight of 445.28 g/mol, XLogP of 7.40, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trihexylstannyl prop-2-enoate is sourced from PubChem (CID 71366207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).