tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate

C28H54O2SiSn — CID 11766953

IUPACtri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate
SMILESCCCC[Sn](/C=C/C=C/C=C/C(=O)O[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC
InChIInChI=1S/C16H27O2Si.3C4H9.Sn/c1-8-9-10-11-12-16(17)18-19(13(2)3,14(4)5)15(6)7;3*1-3-4-2;/h1,8-15H,2-7H3;3*1,3-4H2,2H3;/b8-1?,10-9+,12-11+;;;;
InChIKeyYWUPLMRIXYECFU-OWUJWTGBSA-N
MW569.54 g/mol
LogP9.76
Rot. Bonds17

About tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate

tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate (PubChem CID 11766953) has the molecular formula C28H54O2SiSn and a molecular weight of 569.54 g/mol. Its IUPAC name is tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate
PubChem CID11766953
Molecular FormulaC28H54O2SiSn
Molecular Weight569.54 g/mol
Exact Mass570.29
IUPAC Nametri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate
SMILESCCCC[Sn](/C=C/C=C/C=C/C(=O)O[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC
InChIInChI=1S/C16H27O2Si.3C4H9.Sn/c1-8-9-10-11-12-16(17)18-19(13(2)3,14(4)5)15(6)7;3*1-3-4-2;/h1,8-15H,2-7H3;3*1,3-4H2,2H3;/b8-1?,10-9+,12-11+;;;;
InChIKeyYWUPLMRIXYECFU-OWUJWTGBSA-N
XLogP9.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.54
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
CID 19785799
(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
CID 167577175
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038
(2Z,4E)-5-tributylstannylpenta-2,4-dien-1-ol
CID 172715105
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699
(3E,5S)-3-[(2E,4E,6E,8E)-1-hydroxy-9-tributylstannylnona-2,4,6,8-tetraenylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione
CID 122411848
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
tri(propan-2-yl)silyl (Z)-octadec-9-enoate
CID 156904918
(E,1S,2S)-1-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]-2-methyl-4-tributylstannylbut-3-en-1-ol
CID 53306024
methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
CID 139263828
tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate
CID 101496063

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate?
The IUPAC name of tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate (CID 11766953) is tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate.
What is the SMILES notation for tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate?
The canonical SMILES for tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate is CCCC[Sn](/C=C/C=C/C=C/C(=O)O[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC.
What is the InChIKey of tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate?
The InChIKey is YWUPLMRIXYECFU-OWUJWTGBSA-N. The full InChI is InChI=1S/C16H27O2Si.3C4H9.Sn/c1-8-9-10-11-12-16(17)18-19(13(2)3,14(4)5)15(6)7;3*1-3-4-2;/h1,8-15H,2-7H3;3*1,3-4H2,2H3;/b8-1?,10-9+,12-11+;;;;.
What are the key properties of tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate?
tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate has a molecular weight of 569.54 g/mol, XLogP of 9.76, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate is sourced from PubChem (CID 11766953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).