1-adamantyl-tris(trimethylsilyl)silylmethanone

C20H42OSi4 — CID 4125203

IUPAC1-adamantyl-tris(trimethylsilyl)silylmethanone
SMILESC[Si](C)(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H42OSi4/c1-22(2,3)25(23(4,5)6,24(7,8)9)19(21)20-13-16-10-17(14-20)12-18(11-16)15-20/h16-18H,10-15H2,1-9H3
InChIKeyIULUWOWKCLBWOD-UHFFFAOYSA-N
MW410.90 g/mol
LogP6.01
Rot. Bonds5

About 1-adamantyl-tris(trimethylsilyl)silylmethanone

1-adamantyl-tris(trimethylsilyl)silylmethanone (PubChem CID 4125203) has the molecular formula C20H42OSi4 and a molecular weight of 410.90 g/mol. Its IUPAC name is 1-adamantyl-tris(trimethylsilyl)silylmethanone.

Molecular Properties

Compound Name1-adamantyl-tris(trimethylsilyl)silylmethanone
PubChem CID4125203
Molecular FormulaC20H42OSi4
Molecular Weight410.90 g/mol
Exact Mass410.23
IUPAC Name1-adamantyl-tris(trimethylsilyl)silylmethanone
SMILESC[Si](C)(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H42OSi4/c1-22(2,3)25(23(4,5)6,24(7,8)9)19(21)20-13-16-10-17(14-20)12-18(11-16)15-20/h16-18H,10-15H2,1-9H3
InChIKeyIULUWOWKCLBWOD-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Adamantyl)-3-trimethylsilylprop-2-yn-1-one
CID 10706496
1-Adamantyl-bis(trimethylsilyl)phosphanylmethanone
CID 13545480
2-Adamantyl-tris(trimethylsilyl)silylmethanone
CID 14971970
1-Adamantyl-[methyl-bis(trimethylsilyl)silyl]methanone
CID 15900435
1-Adamantyl-[2,2,3,3,5,5,6,6-octamethyl-1,4,4-tris(trimethylsilyl)hexasilinan-1-yl]methanone
CID 101877606
CID 134996969
CID 134996969
CID 134996971
CID 134996971
1-Adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone
CID 135006656
CID 164665693
CID 164665693
CID 164684060
CID 164684060
1-Adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone
CID 13449011
(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one
CID 10085085

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-tris(trimethylsilyl)silylmethanone?
The IUPAC name of 1-adamantyl-tris(trimethylsilyl)silylmethanone (CID 4125203) is 1-adamantyl-tris(trimethylsilyl)silylmethanone.
What is the SMILES notation for 1-adamantyl-tris(trimethylsilyl)silylmethanone?
The canonical SMILES for 1-adamantyl-tris(trimethylsilyl)silylmethanone is C[Si](C)(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-adamantyl-tris(trimethylsilyl)silylmethanone?
The InChIKey is IULUWOWKCLBWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42OSi4/c1-22(2,3)25(23(4,5)6,24(7,8)9)19(21)20-13-16-10-17(14-20)12-18(11-16)15-20/h16-18H,10-15H2,1-9H3.
What are the key properties of 1-adamantyl-tris(trimethylsilyl)silylmethanone?
1-adamantyl-tris(trimethylsilyl)silylmethanone has a molecular weight of 410.90 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-tris(trimethylsilyl)silylmethanone is sourced from PubChem (CID 4125203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).