(4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate

C27H48O3SiSn — CID 154070748

IUPAC(4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate
SMILESCCCC[Sn](CCCC)(CCCC)C(=CCCOC(=O)c1ccc(OC)cc1)[Si](C)(C)C
InChIInChI=1S/C15H21O3Si.3C4H9.Sn/c1-17-14-9-7-13(8-10-14)15(16)18-11-5-6-12-19(2,3)4;3*1-3-4-2;/h6-10H,5,11H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyMVINFGMFWJUNFA-UHFFFAOYSA-N
MW567.48 g/mol
LogP8.43
Rot. Bonds16

About (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate

(4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate (PubChem CID 154070748) has the molecular formula C27H48O3SiSn and a molecular weight of 567.48 g/mol. Its IUPAC name is (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate
PubChem CID154070748
Molecular FormulaC27H48O3SiSn
Molecular Weight567.48 g/mol
Exact Mass568.24
IUPAC Name(4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate
SMILESCCCC[Sn](CCCC)(CCCC)C(=CCCOC(=O)c1ccc(OC)cc1)[Si](C)(C)C
InChIInChI=1S/C15H21O3Si.3C4H9.Sn/c1-17-14-9-7-13(8-10-14)15(16)18-11-5-6-12-19(2,3)4;3*1-3-4-2;/h6-10H,5,11H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyMVINFGMFWJUNFA-UHFFFAOYSA-N
XLogP8.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.48
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

icosyl 4-methoxybenzoate
CID 71438594
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
butyl 4-(4-butoxycarbonylphenoxy)benzoate
CID 139890645
2-methoxyethyl 4-decoxybenzoate
CID 54021370
propyl 4-butoxybenzoate
CID 43389566
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
5-bromopentyl 4-methoxybenzoate
CID 164687331
(E)-3-(4-methoxyphenyl)-2-tributylstannylprop-2-enamide
CID 11178801
1-O-butyl 4-O-[(Z)-docos-13-enyl] benzene-1,4-dicarboxylate
CID 67832086
decyl 4-methoxybenzenecarboperoxoate
CID 173266038

Frequently Asked Questions

What is the IUPAC name of (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate?
The IUPAC name of (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate (CID 154070748) is (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate.
What is the SMILES notation for (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate?
The canonical SMILES for (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate is CCCC[Sn](CCCC)(CCCC)C(=CCCOC(=O)c1ccc(OC)cc1)[Si](C)(C)C.
What is the InChIKey of (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate?
The InChIKey is MVINFGMFWJUNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O3Si.3C4H9.Sn/c1-17-14-9-7-13(8-10-14)15(16)18-11-5-6-12-19(2,3)4;3*1-3-4-2;/h6-10H,5,11H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate?
(4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate has a molecular weight of 567.48 g/mol, XLogP of 8.43, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tributylstannyl-4-trimethylsilylbut-3-enyl) 4-methoxybenzoate is sourced from PubChem (CID 154070748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).