(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol

C24H51BrO4Si3 — CID 11060812

IUPAC(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(Br)=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51BrO4Si3/c1-22(2,3)30(10,11)27-18-16-17(25)20(28-31(12,13)23(4,5)6)19(26)21(18)29-32(14,15)24(7,8)9/h16,18-21,26H,1-15H3/t18-,19+,20+,21+/m0/s1
InChIKeyLPCDHSNIHKHEPS-DOIPELPJSA-N
MW567.83 g/mol
LogP7.81
Rot. Bonds6

About (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol

(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol (PubChem CID 11060812) has the molecular formula C24H51BrO4Si3 and a molecular weight of 567.83 g/mol. Its IUPAC name is (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol
PubChem CID11060812
Molecular FormulaC24H51BrO4Si3
Molecular Weight567.83 g/mol
Exact Mass566.23
IUPAC Name(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(Br)=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51BrO4Si3/c1-22(2,3)30(10,11)27-18-16-17(25)20(28-31(12,13)23(4,5)6)19(26)21(18)29-32(14,15)24(7,8)9/h16,18-21,26H,1-15H3/t18-,19+,20+,21+/m0/s1
InChIKeyLPCDHSNIHKHEPS-DOIPELPJSA-N
XLogP7.81
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.83
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3aR,4S,5S,7aS)-7-bromo-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 11071047
(1R,5R,6S)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10543628
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
[(1S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-en-2-yl] trifluoromethanesulfonate
CID 11728864
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930554
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1R,2S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 101334341
[(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane
CID 11222641
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
(2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(dimethoxymethyl)cyclopentan-1-one
CID 134886690
[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 99772598

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol?
The IUPAC name of (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol (CID 11060812) is (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol?
The canonical SMILES for (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(Br)=C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol?
The InChIKey is LPCDHSNIHKHEPS-DOIPELPJSA-N. The full InChI is InChI=1S/C24H51BrO4Si3/c1-22(2,3)30(10,11)27-18-16-17(25)20(28-31(12,13)23(4,5)6)19(26)21(18)29-32(14,15)24(7,8)9/h16,18-21,26H,1-15H3/t18-,19+,20+,21+/m0/s1.
What are the key properties of (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol?
(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol has a molecular weight of 567.83 g/mol, XLogP of 7.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol is sourced from PubChem (CID 11060812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).