(2R,4S)-4-trimethylsilyladamantan-2-ol

C13H24OSi — CID 13131354

IUPAC(2R,4S)-4-trimethylsilyladamantan-2-ol
SMILESC[Si](C)(C)[C@H]1C2CC3CC(C2)[C@@H](O)C1C3
InChIInChI=1S/C13H24OSi/c1-15(2,3)13-10-5-8-4-9(7-10)12(14)11(13)6-8/h8-14H,4-7H2,1-3H3/t8?,9?,10?,11?,12-,13+/m1/s1
InChIKeyHQKBRZLFTPOGSU-DRKGDNKPSA-N
MW224.42 g/mol
LogP3.12
Rot. Bonds1

About (2R,4S)-4-trimethylsilyladamantan-2-ol

(2R,4S)-4-trimethylsilyladamantan-2-ol (PubChem CID 13131354) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (2R,4S)-4-trimethylsilyladamantan-2-ol.

Molecular Properties

Compound Name(2R,4S)-4-trimethylsilyladamantan-2-ol
PubChem CID13131354
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(2R,4S)-4-trimethylsilyladamantan-2-ol
SMILESC[Si](C)(C)[C@H]1C2CC3CC(C2)[C@@H](O)C1C3
InChIInChI=1S/C13H24OSi/c1-15(2,3)13-10-5-8-4-9(7-10)12(14)11(13)6-8/h8-14H,4-7H2,1-3H3/t8?,9?,10?,11?,12-,13+/m1/s1
InChIKeyHQKBRZLFTPOGSU-DRKGDNKPSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-trimethylsilyladamantan-2-ol?
The IUPAC name of (2R,4S)-4-trimethylsilyladamantan-2-ol (CID 13131354) is (2R,4S)-4-trimethylsilyladamantan-2-ol.
What is the SMILES notation for (2R,4S)-4-trimethylsilyladamantan-2-ol?
The canonical SMILES for (2R,4S)-4-trimethylsilyladamantan-2-ol is C[Si](C)(C)[C@H]1C2CC3CC(C2)[C@@H](O)C1C3.
What is the InChIKey of (2R,4S)-4-trimethylsilyladamantan-2-ol?
The InChIKey is HQKBRZLFTPOGSU-DRKGDNKPSA-N. The full InChI is InChI=1S/C13H24OSi/c1-15(2,3)13-10-5-8-4-9(7-10)12(14)11(13)6-8/h8-14H,4-7H2,1-3H3/t8?,9?,10?,11?,12-,13+/m1/s1.
What are the key properties of (2R,4S)-4-trimethylsilyladamantan-2-ol?
(2R,4S)-4-trimethylsilyladamantan-2-ol has a molecular weight of 224.42 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-trimethylsilyladamantan-2-ol is sourced from PubChem (CID 13131354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).