4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol

C26H43NOSi — CID 131729994

IUPAC4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol
SMILESCC[Si](C#CC[C@@H](C)CC1(O)CCC(c2ccccc2)(N(C)C)CC1)(CC)CC
InChIInChI=1S/C26H43NOSi/c1-7-29(8-2,9-3)21-13-14-23(4)22-25(28)17-19-26(20-18-25,27(5)6)24-15-11-10-12-16-24/h10-12,15-16,23,28H,7-9,14,17-20,22H2,1-6H3/t23-,25?,26?/m1/s1
InChIKeyZBKUKFKYYACAHT-GMUMFXLYSA-N
MW413.72 g/mol
LogP6.22
Rot. Bonds8

About 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol

4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol (PubChem CID 131729994) has the molecular formula C26H43NOSi and a molecular weight of 413.72 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol
PubChem CID131729994
Molecular FormulaC26H43NOSi
Molecular Weight413.72 g/mol
Exact Mass413.31
IUPAC Name4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol
SMILESCC[Si](C#CC[C@@H](C)CC1(O)CCC(c2ccccc2)(N(C)C)CC1)(CC)CC
InChIInChI=1S/C26H43NOSi/c1-7-29(8-2,9-3)21-13-14-23(4)22-25(28)17-19-26(20-18-25,27(5)6)24-15-11-10-12-16-24/h10-12,15-16,23,28H,7-9,14,17-20,22H2,1-6H3/t23-,25?,26?/m1/s1
InChIKeyZBKUKFKYYACAHT-GMUMFXLYSA-N
XLogP6.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.72
LogP ≤ 56.22
H-Bond Donors ≤ 51
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 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol (CID 131729994) is 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol is CC[Si](C#CC[C@@H](C)CC1(O)CCC(c2ccccc2)(N(C)C)CC1)(CC)CC.
What is the InChIKey of 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol?
The InChIKey is ZBKUKFKYYACAHT-GMUMFXLYSA-N. The full InChI is InChI=1S/C26H43NOSi/c1-7-29(8-2,9-3)21-13-14-23(4)22-25(28)17-19-26(20-18-25,27(5)6)24-15-11-10-12-16-24/h10-12,15-16,23,28H,7-9,14,17-20,22H2,1-6H3/t23-,25?,26?/m1/s1.
What are the key properties of 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol?
4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol has a molecular weight of 413.72 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[(2R)-2-methyl-5-triethylsilylpent-4-ynyl]-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 131729994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).