[(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol

C17H30OSi — CID 90075418

IUPAC[(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol
SMILESCC[Si](C#C[C@]1(C)C[C@H](C)C=C[C@@H]1CO)(CC)CC
InChIInChI=1S/C17H30OSi/c1-6-19(7-2,8-3)12-11-17(5)13-15(4)9-10-16(17)14-18/h9-10,15-16,18H,6-8,13-14H2,1-5H3/t15-,16-,17-/m1/s1
InChIKeyFTHHJGVZUOSIBI-BRWVUGGUSA-N
MW278.51 g/mol
LogP4.25
Rot. Bonds4

About [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol

[(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol (PubChem CID 90075418) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol
PubChem CID90075418
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol
SMILESCC[Si](C#C[C@]1(C)C[C@H](C)C=C[C@@H]1CO)(CC)CC
InChIInChI=1S/C17H30OSi/c1-6-19(7-2,8-3)12-11-17(5)13-15(4)9-10-16(17)14-18/h9-10,15-16,18H,6-8,13-14H2,1-5H3/t15-,16-,17-/m1/s1
InChIKeyFTHHJGVZUOSIBI-BRWVUGGUSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.25
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol (CID 90075418) is [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol is CC[Si](C#C[C@]1(C)C[C@H](C)C=C[C@@H]1CO)(CC)CC.
What is the InChIKey of [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol?
The InChIKey is FTHHJGVZUOSIBI-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H30OSi/c1-6-19(7-2,8-3)12-11-17(5)13-15(4)9-10-16(17)14-18/h9-10,15-16,18H,6-8,13-14H2,1-5H3/t15-,16-,17-/m1/s1.
What are the key properties of [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol?
[(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol has a molecular weight of 278.51 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S,6R)-4,6-dimethyl-6-(2-triethylsilylethynyl)cyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 90075418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).