(E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide

C33H59NOSiSn — CID 135006389

IUPAC(E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C/C1CCCCC1)(CC(=O)N(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H32NOSi.3C4H9.Sn/c1-22(2)21(23)17-20(16-15-18-11-7-5-8-12-18)24(3,4)19-13-9-6-10-14-19;3*1-3-4-2;/h6,9-10,13-16,18H,5,7-8,11-12,17H2,1-4H3;3*1,3-4H2,2H3;/b16-15+;;;;
InChIKeyJCVQQCILUMBAEN-JEEAYVPESA-N
MW632.64 g/mol
LogP9.35
Rot. Bonds16

About (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide

(E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide (PubChem CID 135006389) has the molecular formula C33H59NOSiSn and a molecular weight of 632.64 g/mol. Its IUPAC name is (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide.

Molecular Properties

Compound Name(E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide
PubChem CID135006389
Molecular FormulaC33H59NOSiSn
Molecular Weight632.64 g/mol
Exact Mass633.34
IUPAC Name(E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C/C1CCCCC1)(CC(=O)N(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H32NOSi.3C4H9.Sn/c1-22(2)21(23)17-20(16-15-18-11-7-5-8-12-18)24(3,4)19-13-9-6-10-14-19;3*1-3-4-2;/h6,9-10,13-16,18H,5,7-8,11-12,17H2,1-4H3;3*1,3-4H2,2H3;/b16-15+;;;;
InChIKeyJCVQQCILUMBAEN-JEEAYVPESA-N
XLogP9.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.64
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide?
The IUPAC name of (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide (CID 135006389) is (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide.
What is the SMILES notation for (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide?
The canonical SMILES for (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide is CCCC[Sn](CCCC)(CCCC)C(/C=C/C1CCCCC1)(CC(=O)N(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide?
The InChIKey is JCVQQCILUMBAEN-JEEAYVPESA-N. The full InChI is InChI=1S/C21H32NOSi.3C4H9.Sn/c1-22(2)21(23)17-20(16-15-18-11-7-5-8-12-18)24(3,4)19-13-9-6-10-14-19;3*1-3-4-2;/h6,9-10,13-16,18H,5,7-8,11-12,17H2,1-4H3;3*1,3-4H2,2H3;/b16-15+;;;;.
What are the key properties of (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide?
(E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide has a molecular weight of 632.64 g/mol, XLogP of 9.35, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclohexyl-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylpent-4-enamide is sourced from PubChem (CID 135006389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).