(1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol

C12H19BrO2Si — CID 101239882

IUPAC(1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol
SMILESC[Si](C)(C)C#C[C@@H](O)[C@]1(O)CCCC=C1Br
InChIInChI=1S/C12H19BrO2Si/c1-16(2,3)9-7-11(14)12(15)8-5-4-6-10(12)13/h6,11,14-15H,4-5,8H2,1-3H3/t11-,12+/m1/s1
InChIKeyQHHHMNBYYKEORA-NEPJUHHUSA-N
MW303.27 g/mol
LogP2.42
Rot. Bonds1

About (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol

(1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol (PubChem CID 101239882) has the molecular formula C12H19BrO2Si and a molecular weight of 303.27 g/mol. Its IUPAC name is (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol
PubChem CID101239882
Molecular FormulaC12H19BrO2Si
Molecular Weight303.27 g/mol
Exact Mass302.03
IUPAC Name(1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol
SMILESC[Si](C)(C)C#C[C@@H](O)[C@]1(O)CCCC=C1Br
InChIInChI=1S/C12H19BrO2Si/c1-16(2,3)9-7-11(14)12(15)8-5-4-6-10(12)13/h6,11,14-15H,4-5,8H2,1-3H3/t11-,12+/m1/s1
InChIKeyQHHHMNBYYKEORA-NEPJUHHUSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-yn-1-ol
CID 101388624
1-(1-ethoxycyclopropyl)-3-trimethylsilylprop-2-yn-1-ol
CID 45094294
1-(1-chloro-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
CID 10955814
(2R,3S)-3-methyl-5-trimethylsilylpent-4-yn-2-ol
CID 14084682
1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
CID 102170699
(2S)-2-(4-bromophenyl)-N-methyl-4-trimethylsilylbut-3-yn-1-amine
CID 162405243
1-cyclohexylidene-4-trimethylsilylbut-3-yn-2-ol
CID 122382305
2-[5-bromo-2-(1-methylcyclopropyl)phenyl]ethynyl-trimethylsilane
CID 171633801
1-[1-(2-trimethylsilylethynyl)cyclopropyl]propan-1-ol
CID 11805656
3-[(2R,3S)-4-bromo-1-oxaspiro[2.5]oct-4-en-2-yl]-2,2-dimethylpropanoic acid
CID 100997354
1-(4-bromophenyl)-4-trimethylsilylbut-3-yn-1-ol
CID 10334774
2-(2-bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile
CID 10774452

Frequently Asked Questions

What is the IUPAC name of (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol?
The IUPAC name of (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol (CID 101239882) is (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol?
The canonical SMILES for (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol is C[Si](C)(C)C#C[C@@H](O)[C@]1(O)CCCC=C1Br.
What is the InChIKey of (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol?
The InChIKey is QHHHMNBYYKEORA-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H19BrO2Si/c1-16(2,3)9-7-11(14)12(15)8-5-4-6-10(12)13/h6,11,14-15H,4-5,8H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol?
(1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol has a molecular weight of 303.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 101239882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).