(E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide

C28H51NOSiSn — CID 135005470

IUPAC(E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide
SMILESC/C=C/C(CC(=O)N(C)C)([Si](C)(C)c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H24NOSi.3C4H9.Sn/c1-6-10-15(13-16(18)17(2)3)19(4,5)14-11-8-7-9-12-14;3*1-3-4-2;/h6-12H,13H2,1-5H3;3*1,3-4H2,2H3;/b10-6+;;;;
InChIKeyPKESXSJUHKSZCE-MFFFABBQSA-N
MW564.52 g/mol
LogP7.79
Rot. Bonds15

About (E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide

(E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide (PubChem CID 135005470) has the molecular formula C28H51NOSiSn and a molecular weight of 564.52 g/mol. Its IUPAC name is (E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide.

Molecular Properties

Compound Name(E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide
PubChem CID135005470
Molecular FormulaC28H51NOSiSn
Molecular Weight564.52 g/mol
Exact Mass565.28
IUPAC Name(E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide
SMILESC/C=C/C(CC(=O)N(C)C)([Si](C)(C)c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H24NOSi.3C4H9.Sn/c1-6-10-15(13-16(18)17(2)3)19(4,5)14-11-8-7-9-12-14;3*1-3-4-2;/h6-12H,13H2,1-5H3;3*1,3-4H2,2H3;/b10-6+;;;;
InChIKeyPKESXSJUHKSZCE-MFFFABBQSA-N
XLogP7.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.52
LogP ≤ 57.79
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)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide?
The IUPAC name of (E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide (CID 135005470) is (E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide.
What is the SMILES notation for (E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide?
The canonical SMILES for (E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide is C/C=C/C(CC(=O)N(C)C)([Si](C)(C)c1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide?
The InChIKey is PKESXSJUHKSZCE-MFFFABBQSA-N. The full InChI is InChI=1S/C16H24NOSi.3C4H9.Sn/c1-6-10-15(13-16(18)17(2)3)19(4,5)14-11-8-7-9-12-14;3*1-3-4-2;/h6-12H,13H2,1-5H3;3*1,3-4H2,2H3;/b10-6+;;;;.
What are the key properties of (E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide?
(E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide has a molecular weight of 564.52 g/mol, XLogP of 7.79, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[dimethyl(phenyl)silyl]-N,N-dimethyl-3-tributylstannylhex-4-enamide is sourced from PubChem (CID 135005470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).