(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol

C13H28OSi — CID 12632631

IUPAC(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol
SMILES[2H][C@]1([Si](C)(C)C)CC[C@H](C(C)(C)C)C[C@H]1O
InChIInChI=1S/C13H28OSi/c1-13(2,3)10-7-8-12(11(14)9-10)15(4,5)6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12-/m0/s1/i12D
InChIKeyUNPIWWPINOKEAY-OSJRCPBUSA-N
MW229.46 g/mol
LogP3.90
Rot. Bonds1

About (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol

(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol (PubChem CID 12632631) has the molecular formula C13H28OSi and a molecular weight of 229.46 g/mol. Its IUPAC name is (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol
PubChem CID12632631
Molecular FormulaC13H28OSi
Molecular Weight229.46 g/mol
Exact Mass229.20
IUPAC Name(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol
SMILES[2H][C@]1([Si](C)(C)C)CC[C@H](C(C)(C)C)C[C@H]1O
InChIInChI=1S/C13H28OSi/c1-13(2,3)10-7-8-12(11(14)9-10)15(4,5)6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12-/m0/s1/i12D
InChIKeyUNPIWWPINOKEAY-OSJRCPBUSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
CID 118263170
methyl 2-(4-tert-butyl-2-hydroxycyclohexyl)prop-2-enoate
CID 174469103
1,3-ditert-butylcyclopentane;ethane
CID 161179598
trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
CID 130452306
(1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol
CID 101189092
4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol
CID 79423962
(1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol
CID 164675419
(2R,4R)-4-tert-butyl-7-oxabicyclo[4.1.0]heptan-2-ol
CID 130964751
4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol
CID 83183283
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 13083812

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol (CID 12632631) is (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol is [2H][C@]1([Si](C)(C)C)CC[C@H](C(C)(C)C)C[C@H]1O.
What is the InChIKey of (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol?
The InChIKey is UNPIWWPINOKEAY-OSJRCPBUSA-N. The full InChI is InChI=1S/C13H28OSi/c1-13(2,3)10-7-8-12(11(14)9-10)15(4,5)6/h10-12,14H,7-9H2,1-6H3/t10-,11+,12-/m0/s1/i12D.
What are the key properties of (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol?
(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol has a molecular weight of 229.46 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol is sourced from PubChem (CID 12632631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).