(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol

C24H52O4Si3 — CID 11569387

IUPAC(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]1O
InChIInChI=1S/C24H52O4Si3/c1-22(2,3)29(10,11)26-19-17-16-18(25)20(27-30(12,13)23(4,5)6)21(19)28-31(14,15)24(7,8)9/h16-21,25H,1-15H3/t18-,19-,20+,21+/m1/s1
InChIKeySQFRTQYODFLOFT-CGXNFDGLSA-N
MW488.93 g/mol
LogP7.09
Rot. Bonds6

About (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol

(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol (PubChem CID 11569387) has the molecular formula C24H52O4Si3 and a molecular weight of 488.93 g/mol. Its IUPAC name is (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
PubChem CID11569387
Molecular FormulaC24H52O4Si3
Molecular Weight488.93 g/mol
Exact Mass488.32
IUPAC Name(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]1O
InChIInChI=1S/C24H52O4Si3/c1-22(2,3)29(10,11)26-19-17-16-18(25)20(27-30(12,13)23(4,5)6)21(19)28-31(14,15)24(7,8)9/h16-21,25H,1-15H3/t18-,19-,20+,21+/m1/s1
InChIKeySQFRTQYODFLOFT-CGXNFDGLSA-N
XLogP7.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol
CID 135018190
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
CID 11196999
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol
CID 11455339
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 15263360
(E,2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-4-ene-1,2,3-triol
CID 44466531
(2R,3R,4Z,8E,10E)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-9-methyloctadeca-4,8,10-triene-1,3-diol
CID 45258501
(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol
CID 53474127
(1S,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 91998628

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol?
The IUPAC name of (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol (CID 11569387) is (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C=C[C@H]1O.
What is the InChIKey of (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol?
The InChIKey is SQFRTQYODFLOFT-CGXNFDGLSA-N. The full InChI is InChI=1S/C24H52O4Si3/c1-22(2,3)29(10,11)26-19-17-16-18(25)20(27-30(12,13)23(4,5)6)21(19)28-31(14,15)24(7,8)9/h16-21,25H,1-15H3/t18-,19-,20+,21+/m1/s1.
What are the key properties of (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol?
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol has a molecular weight of 488.93 g/mol, XLogP of 7.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol is sourced from PubChem (CID 11569387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).