prop-2-enyl 2-tributylstannylacetate

C17H34O2Sn — CID 13096282

IUPACprop-2-enyl 2-tributylstannylacetate
SMILESC=CCOC(=O)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C5H7O2.3C4H9.Sn/c1-3-4-7-5(2)6;3*1-3-4-2;/h3H,1-2,4H2;3*1,3-4H2,2H3;
InChIKeyBGKAWRIPEYGOAP-UHFFFAOYSA-N
MW389.17 g/mol
LogP5.56
Rot. Bonds13

About prop-2-enyl 2-tributylstannylacetate

prop-2-enyl 2-tributylstannylacetate (PubChem CID 13096282) has the molecular formula C17H34O2Sn and a molecular weight of 389.17 g/mol. Its IUPAC name is prop-2-enyl 2-tributylstannylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-tributylstannylacetate
PubChem CID13096282
Molecular FormulaC17H34O2Sn
Molecular Weight389.17 g/mol
Exact Mass390.16
IUPAC Nameprop-2-enyl 2-tributylstannylacetate
SMILESC=CCOC(=O)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C5H7O2.3C4H9.Sn/c1-3-4-7-5(2)6;3*1-3-4-2;/h3H,1-2,4H2;3*1,3-4H2,2H3;
InChIKeyBGKAWRIPEYGOAP-UHFFFAOYSA-N
XLogP5.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.17
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl pentadecanoate
CID 87531612
prop-2-enyl tridecanoate
CID 91752122
ethyl 3-(tributylstannylmethyl)but-3-enoate
CID 10982626
prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate
CID 23330193
azane;prop-2-enyl propanoate
CID 87729437
propan-2-one;prop-2-enyl propanoate
CID 174904905
chloromethane;prop-2-enyl propanoate
CID 174815872
dibutyltin;bis(prop-2-enyl 2-sulfanylacetate)
CID 87478355
tributyl(pent-4-enyl)stannane
CID 86003021
prop-2-enyl 2-oxooctadecanoate
CID 140945960
ethyl (2Z)-5-methyl-4-(tributylstannylmethyl)hexa-2,4-dienoate
CID 11730175
bis(prop-2-enyl) 2-heptylpropanedioate
CID 21304231

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-tributylstannylacetate?
The IUPAC name of prop-2-enyl 2-tributylstannylacetate (CID 13096282) is prop-2-enyl 2-tributylstannylacetate.
What is the SMILES notation for prop-2-enyl 2-tributylstannylacetate?
The canonical SMILES for prop-2-enyl 2-tributylstannylacetate is C=CCOC(=O)C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of prop-2-enyl 2-tributylstannylacetate?
The InChIKey is BGKAWRIPEYGOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2.3C4H9.Sn/c1-3-4-7-5(2)6;3*1-3-4-2;/h3H,1-2,4H2;3*1,3-4H2,2H3;.
What are the key properties of prop-2-enyl 2-tributylstannylacetate?
prop-2-enyl 2-tributylstannylacetate has a molecular weight of 389.17 g/mol, XLogP of 5.56, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-tributylstannylacetate is sourced from PubChem (CID 13096282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).