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

C25H41NOSi — CID 140539932

IUPAC4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol
SMILESC#CCCC(C1(O)CCC(c2ccccc2)(N(C)C)CC1)[Si](CC)(CC)CC
InChIInChI=1S/C25H41NOSi/c1-7-11-17-23(28(8-2,9-3)10-4)25(27)20-18-24(19-21-25,26(5)6)22-15-13-12-14-16-22/h1,12-16,23,27H,8-11,17-21H2,2-6H3
InChIKeyPHZIVEXSFYXVLF-UHFFFAOYSA-N
MW399.70 g/mol
LogP6.04
Rot. Bonds9

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

4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol (PubChem CID 140539932) has the molecular formula C25H41NOSi and a molecular weight of 399.70 g/mol. Its IUPAC name is 4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol
PubChem CID140539932
Molecular FormulaC25H41NOSi
Molecular Weight399.70 g/mol
Exact Mass399.30
IUPAC Name4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol
SMILESC#CCCC(C1(O)CCC(c2ccccc2)(N(C)C)CC1)[Si](CC)(CC)CC
InChIInChI=1S/C25H41NOSi/c1-7-11-17-23(28(8-2,9-3)10-4)25(27)20-18-24(19-21-25,26(5)6)22-15-13-12-14-16-22/h1,12-16,23,27H,8-11,17-21H2,2-6H3
InChIKeyPHZIVEXSFYXVLF-UHFFFAOYSA-N
XLogP6.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.70
LogP ≤ 56.04
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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Related Compounds

4-(Dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10109139
1-Benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155
4-(Dimethylamino)-1-methyl-4-(4-methylphenyl)cyclohexan-1-ol
CID 12711968
4-(Dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol
CID 12711972
4-(Dimethylamino)-4-(4-methylphenyl)-1-prop-2-enylcyclohexan-1-ol
CID 12711970
Cyclohexanol, 4-(dimethylamino)-4-phenyl-1-(2-phenylethyl)-
CID 10109140
4-Dimethylamino-4-(3-fluorophenyl)-1-(5-(triethylsilyl)pent-4-inyl)cyclohexanol
CID 131729990
1-Benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol
CID 118711156
4-(Dimethylamino)-4-phenyl-1-(prop-1-ynyl)cyclohexanol
CID 57475158
4-(Dimethylamino)-4-phenylcyclohexane-1,1-diol
CID 70971369
[4-Methoxy-4-(3-methoxy-prop-1-ynyl)-1-phenyl-cyclohexyl]-dimethylamine
CID 86634678
[4-Ethoxy-4-(3-methoxy-prop-1-ynyl)-1-phenyl-cyclohexyl]-dimethylamine
CID 86634680

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol (CID 140539932) is 4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol is C#CCCC(C1(O)CCC(c2ccccc2)(N(C)C)CC1)[Si](CC)(CC)CC.
What is the InChIKey of 4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The InChIKey is PHZIVEXSFYXVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NOSi/c1-7-11-17-23(28(8-2,9-3)10-4)25(27)20-18-24(19-21-25,26(5)6)22-15-13-12-14-16-22/h1,12-16,23,27H,8-11,17-21H2,2-6H3.
What are the key properties of 4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
4-(dimethylamino)-4-phenyl-1-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol has a molecular weight of 399.70 g/mol, XLogP of 6.04, 9 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-(1-triethylsilylpent-4-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 140539932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).