(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol

C24H50O2Si2 — CID 102174700

IUPAC(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol
SMILESC=C[C@H](C)[C@H](O)/C=C(/C[C@@H](CCC)O[Si](CC)(CC)CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O2Si2/c1-12-17-21(26-28(14-3,15-4)16-5)18-22(19-23(25)20(6)13-2)27(10,11)24(7,8)9/h13,19-21,23,25H,2,12,14-18H2,1,3-11H3/b22-19-/t20-,21+,23+/m0/s1
InChIKeyJHLHUNUJYSQAIK-SRUGDYNCSA-N
MW426.83 g/mol
LogP7.72
Rot. Bonds13

About (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol

(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol (PubChem CID 102174700) has the molecular formula C24H50O2Si2 and a molecular weight of 426.83 g/mol. Its IUPAC name is (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol.

Molecular Properties

Compound Name(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol
PubChem CID102174700
Molecular FormulaC24H50O2Si2
Molecular Weight426.83 g/mol
Exact Mass426.33
IUPAC Name(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol
SMILESC=C[C@H](C)[C@H](O)/C=C(/C[C@@H](CCC)O[Si](CC)(CC)CC)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O2Si2/c1-12-17-21(26-28(14-3,15-4)16-5)18-22(19-23(25)20(6)13-2)27(10,11)24(7,8)9/h13,19-21,23,25H,2,12,14-18H2,1,3-11H3/b22-19-/t20-,21+,23+/m0/s1
InChIKeyJHLHUNUJYSQAIK-SRUGDYNCSA-N
XLogP7.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.83
LogP ≤ 57.72
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

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
(Z)-7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 21651787
7-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 54233189
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(Z,2R,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 10968145
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol?
The IUPAC name of (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol (CID 102174700) is (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol.
What is the SMILES notation for (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol?
The canonical SMILES for (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol is C=C[C@H](C)[C@H](O)/C=C(/C[C@@H](CCC)O[Si](CC)(CC)CC)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol?
The InChIKey is JHLHUNUJYSQAIK-SRUGDYNCSA-N. The full InChI is InChI=1S/C24H50O2Si2/c1-12-17-21(26-28(14-3,15-4)16-5)18-22(19-23(25)20(6)13-2)27(10,11)24(7,8)9/h13,19-21,23,25H,2,12,14-18H2,1,3-11H3/b22-19-/t20-,21+,23+/m0/s1.
What are the key properties of (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol?
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol has a molecular weight of 426.83 g/mol, XLogP of 7.72, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol is sourced from PubChem (CID 102174700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).