(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol

C18H40O4Si2 — CID 101111315

IUPAC(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O)[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-17(2,3)23(7,8)21-15-11-13(19)14(20)12-16(15)22-24(9,10)18(4,5)6/h13-16,19-20H,11-12H2,1-10H3/t13-,14-,15-,16-/m0/s1
InChIKeyXNZYUZZBJHEYPA-VGWMRTNUSA-N
MW376.69 g/mol
LogP4.28
Rot. Bonds4

About (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol

(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol (PubChem CID 101111315) has the molecular formula C18H40O4Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
PubChem CID101111315
Molecular FormulaC18H40O4Si2
Molecular Weight376.69 g/mol
Exact Mass376.25
IUPAC Name(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O)[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O4Si2/c1-17(2,3)23(7,8)21-15-11-13(19)14(20)12-16(15)22-24(9,10)18(4,5)6/h13-16,19-20H,11-12H2,1-10H3/t13-,14-,15-,16-/m0/s1
InChIKeyXNZYUZZBJHEYPA-VGWMRTNUSA-N
XLogP4.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.69
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol 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

cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
(3S,3aR,5S,6R,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 11558490
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
(2R,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(dimethylamino)-6-methyloxan-2-ol
CID 16657977
(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-ol
CID 10767871
(1S,2R,3R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxy-3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 11336424
tert-butyl (1R,2S,4S,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 101348849
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-ol
CID 129404592
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol?
The IUPAC name of (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol (CID 101111315) is (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol.
What is the SMILES notation for (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol?
The canonical SMILES for (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O)[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol?
The InChIKey is XNZYUZZBJHEYPA-VGWMRTNUSA-N. The full InChI is InChI=1S/C18H40O4Si2/c1-17(2,3)23(7,8)21-15-11-13(19)14(20)12-16(15)22-24(9,10)18(4,5)6/h13-16,19-20H,11-12H2,1-10H3/t13-,14-,15-,16-/m0/s1.
What are the key properties of (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol?
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol has a molecular weight of 376.69 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol is sourced from PubChem (CID 101111315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).