cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol

C21H48O4Si3 — CID 91867100

IUPACcis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C21H48O4Si3/c1-20(2,3)27(10,11)23-17-14-16(22)15-18(19(17)25-26(7,8)9)24-28(12,13)21(4,5)6/h16-19,22H,14-15H2,1-13H3/t16?,17-,18+,19?
InChIKeyLFTMOSPHRITGSV-FXSDRFNOSA-N
MW448.87 g/mol
LogP6.14
Rot. Bonds6

About cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol

cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol (PubChem CID 91867100) has the molecular formula C21H48O4Si3 and a molecular weight of 448.87 g/mol. Its IUPAC name is cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol.

Molecular Properties

Compound Namecis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
PubChem CID91867100
Molecular FormulaC21H48O4Si3
Molecular Weight448.87 g/mol
Exact Mass448.29
IUPAC Namecis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C21H48O4Si3/c1-20(2,3)27(10,11)23-17-14-16(22)15-18(19(17)25-26(7,8)9)24-28(12,13)21(4,5)6/h16-19,22H,14-15H2,1-13H3/t16?,17-,18+,19?
InChIKeyLFTMOSPHRITGSV-FXSDRFNOSA-N
XLogP6.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.87
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one;3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one;tetramethylsilane
CID 91070116
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
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
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate
CID 11409489
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-ol
CID 129404592
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
CID 101122262
CID 101122262

Frequently Asked Questions

What is the IUPAC name of cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol?
The IUPAC name of cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol (CID 91867100) is cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol.
What is the SMILES notation for cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol?
The canonical SMILES for cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1CC(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol?
The InChIKey is LFTMOSPHRITGSV-FXSDRFNOSA-N. The full InChI is InChI=1S/C21H48O4Si3/c1-20(2,3)27(10,11)23-17-14-16(22)15-18(19(17)25-26(7,8)9)24-28(12,13)21(4,5)6/h16-19,22H,14-15H2,1-13H3/t16?,17-,18+,19?.
What are the key properties of cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol?
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol has a molecular weight of 448.87 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol is sourced from PubChem (CID 91867100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).