(E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol

C23H50O3Si2 — CID 134883122

IUPAC(E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol
SMILESC/C(=C\[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C23H50O3Si2/c1-19(18-24)17-20(2)21(26-28(11,12)23(6,7)8)15-13-14-16-25-27(9,10)22(3,4)5/h17,20-21,24H,13-16,18H2,1-12H3/b19-17+/t20-,21-/m0/s1
InChIKeyXDASEUXRBTYASL-VIUSAGFSSA-N
MW430.82 g/mol
LogP7.14
Rot. Bonds11

About (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol

(E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol (PubChem CID 134883122) has the molecular formula C23H50O3Si2 and a molecular weight of 430.82 g/mol. Its IUPAC name is (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol.

Molecular Properties

Compound Name(E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol
PubChem CID134883122
Molecular FormulaC23H50O3Si2
Molecular Weight430.82 g/mol
Exact Mass430.33
IUPAC Name(E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol
SMILESC/C(=C\[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C23H50O3Si2/c1-19(18-24)17-20(2)21(26-28(11,12)23(6,7)8)15-13-14-16-25-27(9,10)22(3,4)5/h17,20-21,24H,13-16,18H2,1-12H3/b19-17+/t20-,21-/m0/s1
InChIKeyXDASEUXRBTYASL-VIUSAGFSSA-N
XLogP7.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(1S,2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 11301047
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
CID 122371221
(4R,6S)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-methylideneoct-7-en-4-ol
CID 134832360
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026

Frequently Asked Questions

What is the IUPAC name of (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol?
The IUPAC name of (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol (CID 134883122) is (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol.
What is the SMILES notation for (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol?
The canonical SMILES for (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol is C/C(=C\[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol?
The InChIKey is XDASEUXRBTYASL-VIUSAGFSSA-N. The full InChI is InChI=1S/C23H50O3Si2/c1-19(18-24)17-20(2)21(26-28(11,12)23(6,7)8)15-13-14-16-25-27(9,10)22(3,4)5/h17,20-21,24H,13-16,18H2,1-12H3/b19-17+/t20-,21-/m0/s1.
What are the key properties of (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol?
(E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol has a molecular weight of 430.82 g/mol, XLogP of 7.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol is sourced from PubChem (CID 134883122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).