2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane

C18H23Cl3Si — CID 12625988

IUPAC2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane
SMILESCl[Si](Cl)(Cl)CCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23Cl3Si/c19-22(20,21)6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5-12H2
InChIKeyRFOFOKWQZSNTQX-UHFFFAOYSA-N
MW373.83 g/mol
LogP6.35
Rot. Bonds4

About 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane

2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane (PubChem CID 12625988) has the molecular formula C18H23Cl3Si and a molecular weight of 373.83 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane.

Molecular Properties

Compound Name2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane
PubChem CID12625988
Molecular FormulaC18H23Cl3Si
Molecular Weight373.83 g/mol
Exact Mass372.06
IUPAC Name2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane
SMILESCl[Si](Cl)(Cl)CCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23Cl3Si/c19-22(20,21)6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5-12H2
InChIKeyRFOFOKWQZSNTQX-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.83
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-adamantyl)phenyl]ethanamine
CID 14194658
[4-(1-bicyclo[1.1.1]pentanyl)phenyl]methanamine;hydrochloride
CID 163342162
CID 100937762
CID 100937762
4-[4-(1-adamantyl)phenyl]pyrimidine
CID 174710435
5-(1-adamantyl)-2H-benzotriazole
CID 91679573
[4-(1-adamantyl)phenyl]-phenyliodanium
CID 154594349
(1S)-1-[4-(1-adamantyl)phenyl]propan-1-amine
CID 97043066
1-(4-phenylsulfanylphenyl)adamantane
CID 118102997
4-(1-adamantyl)benzenesulfonic acid
CID 58030638
1-[4-[[4-(1-adamantyl)phenyl]-diazomethyl]phenyl]adamantane
CID 137408787
1-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]adamantane
CID 170924975
3-(1-adamantyl)-5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazole
CID 155211958

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane?
The IUPAC name of 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane (CID 12625988) is 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane.
What is the SMILES notation for 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane?
The canonical SMILES for 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane is Cl[Si](Cl)(Cl)CCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane?
The InChIKey is RFOFOKWQZSNTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl3Si/c19-22(20,21)6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5-12H2.
What are the key properties of 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane?
2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane has a molecular weight of 373.83 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)phenyl]ethyl-trichlorosilane is sourced from PubChem (CID 12625988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).