cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol

C12H26O3Si — CID 11791488

IUPACcis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OC1C[C@@H](O)C[C@@H](O)C1
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-11-7-9(13)6-10(14)8-11/h9-11,13-14H,6-8H2,1-5H3/t9-,10+,11?
InChIKeyTTZSBYNDDVTMDO-ZACCUICWSA-N
MW246.42 g/mol
LogP2.28
Rot. Bonds2

About cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol

cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol (PubChem CID 11791488) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
PubChem CID11791488
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namecis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
SMILESCC(C)(C)[Si](C)(C)OC1C[C@@H](O)C[C@@H](O)C1
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-11-7-9(13)6-10(14)8-11/h9-11,13-14H,6-8H2,1-5H3/t9-,10+,11?
InChIKeyTTZSBYNDDVTMDO-ZACCUICWSA-N
XLogP2.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol
CID 100975570
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
CID 171781505
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethanamine
CID 71279786

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol?
The IUPAC name of cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol (CID 11791488) is cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol.
What is the SMILES notation for cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol?
The canonical SMILES for cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol is CC(C)(C)[Si](C)(C)OC1C[C@@H](O)C[C@@H](O)C1.
What is the InChIKey of cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol?
The InChIKey is TTZSBYNDDVTMDO-ZACCUICWSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-11-7-9(13)6-10(14)8-11/h9-11,13-14H,6-8H2,1-5H3/t9-,10+,11?.
What are the key properties of cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol?
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol has a molecular weight of 246.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol is sourced from PubChem (CID 11791488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).