(5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one

C21H40O2Si — CID 122205746

IUPAC(5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one
SMILESCCCCC(CC/C=C/C=C/C(=O)CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si/c1-8-10-17-20(23-24(6,7)21(3,4)5)18-14-12-11-13-16-19(22)15-9-2/h11-13,16,20H,8-10,14-15,17-18H2,1-7H3/b12-11+,16-13+
InChIKeyLSLNVIVDGFXDOJ-VUWKKMCJSA-N
MW352.64 g/mol
LogP6.83
Rot. Bonds12

About (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one

(5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one (PubChem CID 122205746) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one.

Molecular Properties

Compound Name(5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one
PubChem CID122205746
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Name(5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one
SMILESCCCCC(CC/C=C/C=C/C(=O)CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si/c1-8-10-17-20(23-24(6,7)21(3,4)5)18-14-12-11-13-16-19(22)15-9-2/h11-13,16,20H,8-10,14-15,17-18H2,1-7H3/b12-11+,16-13+
InChIKeyLSLNVIVDGFXDOJ-VUWKKMCJSA-N
XLogP6.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 56.83
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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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one?
The IUPAC name of (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one (CID 122205746) is (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one.
What is the SMILES notation for (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one?
The canonical SMILES for (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one is CCCCC(CC/C=C/C=C/C(=O)CCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one?
The InChIKey is LSLNVIVDGFXDOJ-VUWKKMCJSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-8-10-17-20(23-24(6,7)21(3,4)5)18-14-12-11-13-16-19(22)15-9-2/h11-13,16,20H,8-10,14-15,17-18H2,1-7H3/b12-11+,16-13+.
What are the key properties of (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one?
(5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one has a molecular weight of 352.64 g/mol, XLogP of 6.83, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-11-[tert-butyl(dimethyl)silyl]oxypentadeca-5,7-dien-4-one is sourced from PubChem (CID 122205746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).