2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol

C12H24OSi — CID 134991840

IUPAC2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
SMILESC[C@@H]1C=C[C@H](CCO)C([Si](C)(C)C)C1
InChIInChI=1S/C12H24OSi/c1-10-5-6-11(7-8-13)12(9-10)14(2,3)4/h5-6,10-13H,7-9H2,1-4H3/t10-,11-,12?/m1/s1
InChIKeyOIPCOERGULFKJR-XFKKCKKNSA-N
MW212.41 g/mol
LogP3.29
Rot. Bonds3

About 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol

2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol (PubChem CID 134991840) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
PubChem CID134991840
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
SMILESC[C@@H]1C=C[C@H](CCO)C([Si](C)(C)C)C1
InChIInChI=1S/C12H24OSi/c1-10-5-6-11(7-8-13)12(9-10)14(2,3)4/h5-6,10-13H,7-9H2,1-4H3/t10-,11-,12?/m1/s1
InChIKeyOIPCOERGULFKJR-XFKKCKKNSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.29
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 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol?
The IUPAC name of 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol (CID 134991840) is 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol.
What is the SMILES notation for 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol?
The canonical SMILES for 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol is C[C@@H]1C=C[C@H](CCO)C([Si](C)(C)C)C1.
What is the InChIKey of 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol?
The InChIKey is OIPCOERGULFKJR-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H24OSi/c1-10-5-6-11(7-8-13)12(9-10)14(2,3)4/h5-6,10-13H,7-9H2,1-4H3/t10-,11-,12?/m1/s1.
What are the key properties of 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol?
2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol has a molecular weight of 212.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-4-methyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol is sourced from PubChem (CID 134991840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).