cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol

C12H26O2Si — CID 14172787

IUPACcis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h10-11,13H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyIAKVQZKBAVMFAQ-WDEREUQCSA-N
MW230.42 g/mol
LogP3.31
Rot. Bonds2

About cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol

cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol (PubChem CID 14172787) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
PubChem CID14172787
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Namecis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h10-11,13H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyIAKVQZKBAVMFAQ-WDEREUQCSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-4-((t-Butyldimethylsilyl)oxy)cyclohexan-1-ol
CID 554539
cis-4-(Trimethylsilyl)cyclohexanol
CID 68279633
2-(Trimethylsilyl)cyclohexanol
CID 554438
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
CID 58012768
Cyclohexanol, 2-[(tert-butyldimethylsilyl)oxy]-, cis-
CID 554541
trans-(1R,2R)-2-tri(propan-2-yl)silyloxycyclohexan-1-ol
CID 10912666
(1R,2R)-2-{[Tert-butyl(dimethyl)silyl]oxy}cyclohexanol
CID 11401982
cis-(1R,2R)-1-trimethylsilylcyclohexane-1,2-diol
CID 12705658
cis-(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172788
(1S,3R)-3-(Trimethylsilyl)cyclohexan-1-ol
CID 21581980
trans-(1R,3R)-3-trimethylsilylcyclohexan-1-ol
CID 21581981
(2S)-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-ol
CID 44178478

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol (CID 14172787) is cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol?
The InChIKey is IAKVQZKBAVMFAQ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h10-11,13H,6-9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol?
cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol has a molecular weight of 230.42 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol is sourced from PubChem (CID 14172787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).