(E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one

C19H38O3Si — CID 134930532

IUPAC(E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
SMILESC/C=C/C(O)[C@H](C)C(=O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-10-11-18(20)17(9)19(21)12-16(8)22-23(13(2)3,14(4)5)15(6)7/h10-11,13-18,20H,12H2,1-9H3/b11-10+/t16-,17-,18?/m0/s1
InChIKeyLKZMCELYNXWWFQ-CQLRMOFLSA-N
MW342.60 g/mol
LogP5.10
Rot. Bonds10

About (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one

(E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one (PubChem CID 134930532) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one.

Molecular Properties

Compound Name(E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
PubChem CID134930532
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
SMILESC/C=C/C(O)[C@H](C)C(=O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-10-11-18(20)17(9)19(21)12-16(8)22-23(13(2)3,14(4)5)15(6)7/h10-11,13-18,20H,12H2,1-9H3/b11-10+/t16-,17-,18?/m0/s1
InChIKeyLKZMCELYNXWWFQ-CQLRMOFLSA-N
XLogP5.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.10
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

(2R,4S,8E,10E)-7-hydroxy-2,4-dimethyl-1-triethylsilyloxydodeca-8,10-dien-5-one
CID 11703131
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyldec-8-en-5-one
CID 134904239
(E,2S,5R)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
CID 134930533
(3E,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-1,3-dien-5-ol
CID 134979331
(E,2S,5S,6R)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one
CID 12156229
(E,2R,4S,5S)-5-hydroxy-2,4,6-trimethyl-1-tri(propan-2-yl)silyloxyoct-6-en-3-one
CID 101204275
(E,2S,3S,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-6-ene-1,5-diol
CID 59891947
3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one
CID 70615316
(2R,3S,4S,5R)-2,4-dimethyl-3-(tert-butyldimethylsilyloxy)oct-6-en-1,5-diol
CID 86585096
(E,2R,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid
CID 88043975
(E,2R,3S,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethyloct-6-enoic acid
CID 88043991

Frequently Asked Questions

What is the IUPAC name of (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one?
The IUPAC name of (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one (CID 134930532) is (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one.
What is the SMILES notation for (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one?
The canonical SMILES for (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one is C/C=C/C(O)[C@H](C)C(=O)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one?
The InChIKey is LKZMCELYNXWWFQ-CQLRMOFLSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-11-18(20)17(9)19(21)12-16(8)22-23(13(2)3,14(4)5)15(6)7/h10-11,13-18,20H,12H2,1-9H3/b11-10+/t16-,17-,18?/m0/s1.
What are the key properties of (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one?
(E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one has a molecular weight of 342.60 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,5S)-6-hydroxy-5-methyl-2-tri(propan-2-yl)silyloxynon-7-en-4-one is sourced from PubChem (CID 134930532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).