1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane

C24H40OSn — CID 71653860

IUPAC1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane
SMILESC=CCCOc1ccccc1C(=C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H13O.3C4H9.Sn/c1-3-5-10-13-12-9-7-6-8-11(12)4-2;3*1-3-4-2;/h3,6-9H,1-2,5,10H2;3*1,3-4H2,2H3;
InChIKeyAIGTYNMKCZYLRH-UHFFFAOYSA-N
MW463.29 g/mol
LogP8.04
Rot. Bonds15

About 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane

1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane (PubChem CID 71653860) has the molecular formula C24H40OSn and a molecular weight of 463.29 g/mol. Its IUPAC name is 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane.

Molecular Properties

Compound Name1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane
PubChem CID71653860
Molecular FormulaC24H40OSn
Molecular Weight463.29 g/mol
Exact Mass464.21
IUPAC Name1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane
SMILESC=CCCOc1ccccc1C(=C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H13O.3C4H9.Sn/c1-3-5-10-13-12-9-7-6-8-11(12)4-2;3*1-3-4-2;/h3,6-9H,1-2,5,10H2;3*1,3-4H2,2H3;
InChIKeyAIGTYNMKCZYLRH-UHFFFAOYSA-N
XLogP8.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.29
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-butoxybenzoic acid;carbonic acid
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1,5-bis(but-3-enoxy)-2,4-bis(hex-1-ynyl)benzene
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CID 67242742
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CID 11077332

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane?
The IUPAC name of 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane (CID 71653860) is 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane.
What is the SMILES notation for 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane?
The canonical SMILES for 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane is C=CCCOc1ccccc1C(=C)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane?
The InChIKey is AIGTYNMKCZYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O.3C4H9.Sn/c1-3-5-10-13-12-9-7-6-8-11(12)4-2;3*1-3-4-2;/h3,6-9H,1-2,5,10H2;3*1,3-4H2,2H3;.
What are the key properties of 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane?
1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane has a molecular weight of 463.29 g/mol, XLogP of 8.04, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyphenyl)ethenyl-tributylstannane is sourced from PubChem (CID 71653860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).