(6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one

C26H48O3Si — CID 10071736

IUPAC(6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)C(CC(=O)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O3Si/c1-20(2)24(28)19-25(29-30(9,10)26(6,7)8)23(5)16-12-15-21(3)13-11-14-22(4)17-18-27/h13,16-17,20,25,27H,11-12,14-15,18-19H2,1-10H3/b21-13+,22-17+,23-16+
InChIKeyVAXFNIKUJZCBLU-ZHKUUZJBSA-N
MW436.75 g/mol
LogP7.38
Rot. Bonds13

About (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one

(6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one (PubChem CID 10071736) has the molecular formula C26H48O3Si and a molecular weight of 436.75 g/mol. Its IUPAC name is (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one.

Molecular Properties

Compound Name(6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one
PubChem CID10071736
Molecular FormulaC26H48O3Si
Molecular Weight436.75 g/mol
Exact Mass436.34
IUPAC Name(6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)C(CC(=O)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O3Si/c1-20(2)24(28)19-25(29-30(9,10)26(6,7)8)23(5)16-12-15-21(3)13-11-14-22(4)17-18-27/h13,16-17,20,25,27H,11-12,14-15,18-19H2,1-10H3/b21-13+,22-17+,23-16+
InChIKeyVAXFNIKUJZCBLU-ZHKUUZJBSA-N
XLogP7.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.75
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sipharienolone
CID 5473196
Siphonarienolone
CID 10064009
(5R,6S)-6-[(1R,2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethylocta-2,6-dienyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 102160299
(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
CID 5471931
(E,2S,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enal
CID 10250059
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnon-6-en-3-one
CID 11472059
(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one
CID 11703131
(E,5R,10S)-5-hydroxy-2,6,10-trimethyl-10-triethylsilyloxydodec-6-en-11-yn-3-one
CID 46243243
(E,2R,3R,6S,7R)-3-hydroxy-2,4,6-trimethyl-7-triethylsilyloxyoct-4-enal
CID 49836102
(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
CID 134865994
(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one
CID 134904239
(E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
CID 134930532

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one?
The IUPAC name of (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one (CID 10071736) is (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one.
What is the SMILES notation for (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one?
The canonical SMILES for (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one is C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)C(CC(=O)C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one?
The InChIKey is VAXFNIKUJZCBLU-ZHKUUZJBSA-N. The full InChI is InChI=1S/C26H48O3Si/c1-20(2)24(28)19-25(29-30(9,10)26(6,7)8)23(5)16-12-15-21(3)13-11-14-22(4)17-18-27/h13,16-17,20,25,27H,11-12,14-15,18-19H2,1-10H3/b21-13+,22-17+,23-16+.
What are the key properties of (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one?
(6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one has a molecular weight of 436.75 g/mol, XLogP of 7.38, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E)-5-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one is sourced from PubChem (CID 10071736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).