[(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane

C14H26OSi — CID 16681521

IUPAC[(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane
SMILESC[18O]C1[C@@H]2CC3C[C@H]1CC([Si](C)(C)C)(C3)C2
InChIInChI=1S/C14H26OSi/c1-15-13-11-5-10-6-12(13)9-14(7-10,8-11)16(2,3)4/h10-13H,5-9H2,1-4H3/t10?,11-,12+,13?,14?/i15+2
InChIKeyJWCDTSFORQBSLV-AABIWUAASA-N
MW240.45 g/mol
LogP3.92
Rot. Bonds2

About [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane

[(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane (PubChem CID 16681521) has the molecular formula C14H26OSi and a molecular weight of 240.45 g/mol. Its IUPAC name is [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane.

Molecular Properties

Compound Name[(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane
PubChem CID16681521
Molecular FormulaC14H26OSi
Molecular Weight240.45 g/mol
Exact Mass240.18
IUPAC Name[(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane
SMILESC[18O]C1[C@@H]2CC3C[C@H]1CC([Si](C)(C)C)(C3)C2
InChIInChI=1S/C14H26OSi/c1-15-13-11-5-10-6-12(13)9-14(7-10,8-11)16(2,3)4/h10-13H,5-9H2,1-4H3/t10?,11-,12+,13?,14?/i15+2
InChIKeyJWCDTSFORQBSLV-AABIWUAASA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
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 [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane?
The IUPAC name of [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane (CID 16681521) is [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane.
What is the SMILES notation for [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane?
The canonical SMILES for [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane is C[18O]C1[C@@H]2CC3C[C@H]1CC([Si](C)(C)C)(C3)C2.
What is the InChIKey of [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane?
The InChIKey is JWCDTSFORQBSLV-AABIWUAASA-N. The full InChI is InChI=1S/C14H26OSi/c1-15-13-11-5-10-6-12(13)9-14(7-10,8-11)16(2,3)4/h10-13H,5-9H2,1-4H3/t10?,11-,12+,13?,14?/i15+2.
What are the key properties of [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane?
[(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane has a molecular weight of 240.45 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-4-(18O)methoxy-1-adamantyl]-trimethylsilane is sourced from PubChem (CID 16681521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).