trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol

C13H26OSi — CID 12060656

IUPACtrans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol
SMILESC[Si](C)(C)C/C=C/C[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H26OSi/c1-15(2,3)11-7-6-9-12-8-4-5-10-13(12)14/h6-7,12-14H,4-5,8-11H2,1-3H3/b7-6+/t12-,13-/m0/s1
InChIKeyQDABJRPJRBCWAU-XKZLPGLHSA-N
MW226.44 g/mol
LogP3.82
Rot. Bonds4

About trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol

trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol (PubChem CID 12060656) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol
PubChem CID12060656
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametrans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol
SMILESC[Si](C)(C)C/C=C/C[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H26OSi/c1-15(2,3)11-7-6-9-12-8-4-5-10-13(12)14/h6-7,12-14H,4-5,8-11H2,1-3H3/b7-6+/t12-,13-/m0/s1
InChIKeyQDABJRPJRBCWAU-XKZLPGLHSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol (CID 12060656) is trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol is C[Si](C)(C)C/C=C/C[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol?
The InChIKey is QDABJRPJRBCWAU-XKZLPGLHSA-N. The full InChI is InChI=1S/C13H26OSi/c1-15(2,3)11-7-6-9-12-8-4-5-10-13(12)14/h6-7,12-14H,4-5,8-11H2,1-3H3/b7-6+/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol?
trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol has a molecular weight of 226.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 12060656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).