(4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol

C20H38O2Si — CID 166445259

IUPAC(4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol
SMILESC=CC(C)(O)[C@@H](C)[C@@H](/C=C/C(C)=C/CC)O[Si](CC)(CC)CC
InChIInChI=1S/C20H38O2Si/c1-9-14-17(6)15-16-19(18(7)20(8,21)10-2)22-23(11-3,12-4)13-5/h10,14-16,18-19,21H,2,9,11-13H2,1,3-8H3/b16-15+,17-14+/t18-,19+,20?/m0/s1
InChIKeyWSCOXVQUKRXSQJ-GYGQRWPSSA-N
MW338.61 g/mol
LogP5.86
Rot. Bonds11

About (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol

(4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol (PubChem CID 166445259) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol.

Molecular Properties

Compound Name(4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol
PubChem CID166445259
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol
SMILESC=CC(C)(O)[C@@H](C)[C@@H](/C=C/C(C)=C/CC)O[Si](CC)(CC)CC
InChIInChI=1S/C20H38O2Si/c1-9-14-17(6)15-16-19(18(7)20(8,21)10-2)22-23(11-3,12-4)13-5/h10,14-16,18-19,21H,2,9,11-13H2,1,3-8H3/b16-15+,17-14+/t18-,19+,20?/m0/s1
InChIKeyWSCOXVQUKRXSQJ-GYGQRWPSSA-N
XLogP5.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.86
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(3E,5S,6S,7Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,8,10-tetramethyldodeca-3,7,9,11-tetraen-5-ol
CID 46180291
(2E,4Z,6Z,8S,9S,10E)-13-[tert-butyl(dimethyl)silyl]oxy-4,6,8,11-tetramethyltrideca-2,4,6,10-tetraene-1,9-diol
CID 46180292
(3S,4Z,6E,8R,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8,10,13-trimethyltetradeca-4,6,10-trien-1-ol
CID 60153235
(E,2S,3S)-3,4,6-trimethyl-2-triethylsilyloxyhept-4-en-3-ol
CID 101800487
(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
CID 102289950
(E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol
CID 102289951
(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-4-methylpent-1-en-3-ol
CID 102289952
(2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol
CID 134848525
(4R,5E,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-8-cyclohexylocta-5,7-dien-2-ol
CID 134856772

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol?
The IUPAC name of (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol (CID 166445259) is (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol.
What is the SMILES notation for (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol?
The canonical SMILES for (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol is C=CC(C)(O)[C@@H](C)[C@@H](/C=C/C(C)=C/CC)O[Si](CC)(CC)CC.
What is the InChIKey of (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol?
The InChIKey is WSCOXVQUKRXSQJ-GYGQRWPSSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-9-14-17(6)15-16-19(18(7)20(8,21)10-2)22-23(11-3,12-4)13-5/h10,14-16,18-19,21H,2,9,11-13H2,1,3-8H3/b16-15+,17-14+/t18-,19+,20?/m0/s1.
What are the key properties of (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol?
(4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol has a molecular weight of 338.61 g/mol, XLogP of 5.86, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol is sourced from PubChem (CID 166445259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).