(1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol

C12H19BrO2Si — CID 11460862

IUPAC(1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol
SMILESC[Si](C)(C)C#C[C@H](O)[C@H](O)C1=C(Br)CCC1
InChIInChI=1S/C12H19BrO2Si/c1-16(2,3)8-7-11(14)12(15)9-5-4-6-10(9)13/h11-12,14-15H,4-6H2,1-3H3/t11-,12+/m0/s1
InChIKeyWRFHILFAYLRNPF-NWDGAFQWSA-N
MW303.27 g/mol
LogP2.42
Rot. Bonds2

About (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol

(1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol (PubChem CID 11460862) has the molecular formula C12H19BrO2Si and a molecular weight of 303.27 g/mol. Its IUPAC name is (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol
PubChem CID11460862
Molecular FormulaC12H19BrO2Si
Molecular Weight303.27 g/mol
Exact Mass302.03
IUPAC Name(1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol
SMILESC[Si](C)(C)C#C[C@H](O)[C@H](O)C1=C(Br)CCC1
InChIInChI=1S/C12H19BrO2Si/c1-16(2,3)8-7-11(14)12(15)9-5-4-6-10(9)13/h11-12,14-15H,4-6H2,1-3H3/t11-,12+/m0/s1
InChIKeyWRFHILFAYLRNPF-NWDGAFQWSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

1-[2-Bromo-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propan-1-ol
CID 11709779
(1R)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol
CID 101239880
(1S)-2-bromo-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol
CID 101239881
(1R,2S)-1-(2-bromocyclohepten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol
CID 101255975
(1S,2S)-1-(2-bromocyclohexen-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol
CID 101255976
(1R,2S)-1-(2-bromocyclohexen-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol
CID 101414789
(1S)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol
CID 102377259
(1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol
CID 102377260

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol?
The IUPAC name of (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol (CID 11460862) is (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol.
What is the SMILES notation for (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol?
The canonical SMILES for (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol is C[Si](C)(C)C#C[C@H](O)[C@H](O)C1=C(Br)CCC1.
What is the InChIKey of (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol?
The InChIKey is WRFHILFAYLRNPF-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H19BrO2Si/c1-16(2,3)8-7-11(14)12(15)9-5-4-6-10(9)13/h11-12,14-15H,4-6H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol?
(1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol has a molecular weight of 303.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(2-bromocyclopenten-1-yl)-4-trimethylsilylbut-3-yne-1,2-diol is sourced from PubChem (CID 11460862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).