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

C13H21BrO2Si — CID 102377260

IUPAC(1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol
SMILESC[Si](C)(C)C#C[C@H](O)[C@]1(O)CCCCC=C1Br
InChIInChI=1S/C13H21BrO2Si/c1-17(2,3)10-8-12(15)13(16)9-6-4-5-7-11(13)14/h7,12,15-16H,4-6,9H2,1-3H3/t12-,13-/m0/s1
InChIKeyHRDCRHUAEPXYPY-STQMWFEESA-N
MW317.30 g/mol
LogP2.81
Rot. Bonds1

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

(1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol (PubChem CID 102377260) has the molecular formula C13H21BrO2Si and a molecular weight of 317.30 g/mol. Its IUPAC name is (1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol.

Molecular Properties

Compound Name(1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol
PubChem CID102377260
Molecular FormulaC13H21BrO2Si
Molecular Weight317.30 g/mol
Exact Mass316.05
IUPAC Name(1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol
SMILESC[Si](C)(C)C#C[C@H](O)[C@]1(O)CCCCC=C1Br
InChIInChI=1S/C13H21BrO2Si/c1-17(2,3)10-8-12(15)13(16)9-6-4-5-7-11(13)14/h7,12,15-16H,4-6,9H2,1-3H3/t12-,13-/m0/s1
InChIKeyHRDCRHUAEPXYPY-STQMWFEESA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of (1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol?
The IUPAC name of (1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol (CID 102377260) is (1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol.
What is the SMILES notation for (1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol?
The canonical SMILES for (1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol is C[Si](C)(C)C#C[C@H](O)[C@]1(O)CCCCC=C1Br.
What is the InChIKey of (1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol?
The InChIKey is HRDCRHUAEPXYPY-STQMWFEESA-N. The full InChI is InChI=1S/C13H21BrO2Si/c1-17(2,3)10-8-12(15)13(16)9-6-4-5-7-11(13)14/h7,12,15-16H,4-6,9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol?
(1R)-2-bromo-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol has a molecular weight of 317.30 g/mol, XLogP of 2.81, 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-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohept-2-en-1-ol is sourced from PubChem (CID 102377260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).