1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone

C21H42OSi3 — CID 13449011

IUPAC1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone
SMILESCC(C)(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C21H42OSi3/c1-20(2,3)25(23(4,5)6,24(7,8)9)19(22)21-13-16-10-17(14-21)12-18(11-16)15-21/h16-18H,10-15H2,1-9H3
InChIKeyIUKGRCZGKIWBEC-UHFFFAOYSA-N
MW394.82 g/mol
LogP6.39
Rot. Bonds4

About 1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone

1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone (PubChem CID 13449011) has the molecular formula C21H42OSi3 and a molecular weight of 394.82 g/mol. Its IUPAC name is 1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone.

Molecular Properties

Compound Name1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone
PubChem CID13449011
Molecular FormulaC21H42OSi3
Molecular Weight394.82 g/mol
Exact Mass394.25
IUPAC Name1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone
SMILESCC(C)(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C21H42OSi3/c1-20(2,3)25(23(4,5)6,24(7,8)9)19(22)21-13-16-10-17(14-21)12-18(11-16)15-21/h16-18H,10-15H2,1-9H3
InChIKeyIUKGRCZGKIWBEC-UHFFFAOYSA-N
XLogP6.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.82
LogP ≤ 56.39
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

(Adamant-1-yl-carbonyl)-tris(trimethylsilyl)silane
CID 4125203
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
(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one
CID 10085085

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone?
The IUPAC name of 1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone (CID 13449011) is 1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone.
What is the SMILES notation for 1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone?
The canonical SMILES for 1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone is CC(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-[tert-butyl-bis(trimethylsilyl)silyl]methanone?
The InChIKey is IUKGRCZGKIWBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42OSi3/c1-20(2,3)25(23(4,5)6,24(7,8)9)19(22)21-13-16-10-17(14-21)12-18(11-16)15-21/h16-18H,10-15H2,1-9H3.
What are the key properties of 1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone?
1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone has a molecular weight of 394.82 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone is sourced from PubChem (CID 13449011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).