(5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol

C19H38O2Si — CID 140765683

IUPAC(5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)CC=C(C)C
InChIInChI=1S/C19H38O2Si/c1-11-15(4)18(21-22(9,10)19(6,7)8)16(5)17(20)13-12-14(2)3/h11-12,16-18,20H,13H2,1-10H3/b15-11+/t16-,17+,18-/m0/s1
InChIKeyVPAQPJZFTFPLET-VWZCZLNGSA-N
MW326.60 g/mol
LogP5.70
Rot. Bonds7

About (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol

(5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol (PubChem CID 140765683) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol.

Molecular Properties

Compound Name(5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol
PubChem CID140765683
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)CC=C(C)C
InChIInChI=1S/C19H38O2Si/c1-11-15(4)18(21-22(9,10)19(6,7)8)16(5)17(20)13-12-14(2)3/h11-12,16-18,20H,13H2,1-10H3/b15-11+/t16-,17+,18-/m0/s1
InChIKeyVPAQPJZFTFPLET-VWZCZLNGSA-N
XLogP5.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethyldeca-2,8-dienoate
CID 11314713
(2E,5S,6S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-(methylsulfanylmethoxy)deca-2,8-dienoic acid
CID 164992495
(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol
CID 11500377
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol
CID 138977970
(3R)-2,6-dimethylhept-5-en-3-ol
CID 141014300
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylheptan-3-ol
CID 58012730
(2R,4R,6E,8R,9R,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyldodeca-6,10-dienoic acid
CID 102342235
(2S,3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-6-ene-1,3-diol
CID 139994433
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
CID 72722963
tert-butyl-dimethyl-[(E)-3-methyl-4-trimethylsilyloxybut-3-en-2-yl]oxysilane
CID 101356352

Frequently Asked Questions

What is the IUPAC name of (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol?
The IUPAC name of (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol (CID 140765683) is (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol.
What is the SMILES notation for (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol?
The canonical SMILES for (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol is C/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)CC=C(C)C.
What is the InChIKey of (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol?
The InChIKey is VPAQPJZFTFPLET-VWZCZLNGSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-11-15(4)18(21-22(9,10)19(6,7)8)16(5)17(20)13-12-14(2)3/h11-12,16-18,20H,13H2,1-10H3/b15-11+/t16-,17+,18-/m0/s1.
What are the key properties of (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol?
(5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol has a molecular weight of 326.60 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol is sourced from PubChem (CID 140765683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).