4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol

C25H41NOSi — CID 131729989

IUPAC4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
SMILESCC[Si](C#CCCCC1(O)CCC(c2ccccc2)(N(C)C)CC1)(CC)CC
InChIInChI=1S/C25H41NOSi/c1-6-28(7-2,8-3)22-14-10-13-17-24(27)18-20-25(21-19-24,26(4)5)23-15-11-9-12-16-23/h9,11-12,15-16,27H,6-8,10,13,17-21H2,1-5H3
InChIKeyLCSHFZYWVUVGGO-UHFFFAOYSA-N
MW399.70 g/mol
LogP5.97
Rot. Bonds8

About 4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol

4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol (PubChem CID 131729989) has the molecular formula C25H41NOSi and a molecular weight of 399.70 g/mol. Its IUPAC name is 4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
PubChem CID131729989
Molecular FormulaC25H41NOSi
Molecular Weight399.70 g/mol
Exact Mass399.30
IUPAC Name4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
SMILESCC[Si](C#CCCCC1(O)CCC(c2ccccc2)(N(C)C)CC1)(CC)CC
InChIInChI=1S/C25H41NOSi/c1-6-28(7-2,8-3)22-14-10-13-17-24(27)18-20-25(21-19-24,26(4)5)23-15-11-9-12-16-23/h9,11-12,15-16,27H,6-8,10,13,17-21H2,1-5H3
InChIKeyLCSHFZYWVUVGGO-UHFFFAOYSA-N
XLogP5.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.70
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol (CID 131729989) is 4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol is CC[Si](C#CCCCC1(O)CCC(c2ccccc2)(N(C)C)CC1)(CC)CC.
What is the InChIKey of 4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The InChIKey is LCSHFZYWVUVGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NOSi/c1-6-28(7-2,8-3)22-14-10-13-17-24(27)18-20-25(21-19-24,26(4)5)23-15-11-9-12-16-23/h9,11-12,15-16,27H,6-8,10,13,17-21H2,1-5H3.
What are the key properties of 4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol has a molecular weight of 399.70 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 131729989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).