1-adamantyl-dimethyl-phenylsilane

C18H26Si — CID 13303229

IUPAC1-adamantyl-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26Si/c1-19(2,17-6-4-3-5-7-17)18-11-14-8-15(12-18)10-16(9-14)13-18/h3-7,14-16H,8-13H2,1-2H3
InChIKeyNQEAAQPILYINOO-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds2

About 1-adamantyl-dimethyl-phenylsilane

1-adamantyl-dimethyl-phenylsilane (PubChem CID 13303229) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-adamantyl-dimethyl-phenylsilane.

Molecular Properties

Compound Name1-adamantyl-dimethyl-phenylsilane
PubChem CID13303229
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Name1-adamantyl-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26Si/c1-19(2,17-6-4-3-5-7-17)18-11-14-8-15(12-18)10-16(9-14)13-18/h3-7,14-16H,8-13H2,1-2H3
InChIKeyNQEAAQPILYINOO-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-adamantyl-dimethyl-phenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenyladamantane
CID 522696
2-Phenyladamantane
CID 527341
1,1'-Biphenyl, 4-(triphenylsilyl)-
CID 76637
4,4''-(Diphenylsilylene)bis(1,1'-biphenyl)
CID 76636
(m-Terphenyl-5'-yl)trimethylsilane
CID 625570
Trimethyl(triphenylmethyl)silane
CID 298152
1,1-Dimethyl-2,3,4,5-tetraphenylsilole
CID 5105497
Diphenyl(diphenylmethyl)silane
CID 3631522
Phenyltris(2-cyclohexylethyl)silane
CID 4146190
1-(3-Methylphenyl)-adamantane
CID 527332
1-Benzyladamantane
CID 584912
Phenethyltriphenylsilane
CID 3544083

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-dimethyl-phenylsilane?
The IUPAC name of 1-adamantyl-dimethyl-phenylsilane (CID 13303229) is 1-adamantyl-dimethyl-phenylsilane.
What is the SMILES notation for 1-adamantyl-dimethyl-phenylsilane?
The canonical SMILES for 1-adamantyl-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-dimethyl-phenylsilane?
The InChIKey is NQEAAQPILYINOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Si/c1-19(2,17-6-4-3-5-7-17)18-11-14-8-15(12-18)10-16(9-14)13-18/h3-7,14-16H,8-13H2,1-2H3.
What are the key properties of 1-adamantyl-dimethyl-phenylsilane?
1-adamantyl-dimethyl-phenylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-dimethyl-phenylsilane is sourced from PubChem (CID 13303229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).