2-adamantyl-tris(trimethylsilyl)silylmethanone

C20H42OSi4 — CID 14971970

IUPAC2-adamantyl-tris(trimethylsilyl)silylmethanone
SMILESC[Si](C)(C)[Si](C(=O)C1C2CC3CC(C2)CC1C3)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H42OSi4/c1-22(2,3)25(23(4,5)6,24(7,8)9)20(21)19-17-11-15-10-16(13-17)14-18(19)12-15/h15-19H,10-14H2,1-9H3
InChIKeyQVVJLTVSBWUOKA-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.87
Rot. Bonds5

About 2-adamantyl-tris(trimethylsilyl)silylmethanone

2-adamantyl-tris(trimethylsilyl)silylmethanone (PubChem CID 14971970) has the molecular formula C20H42OSi4 and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-adamantyl-tris(trimethylsilyl)silylmethanone.

Molecular Properties

Compound Name2-adamantyl-tris(trimethylsilyl)silylmethanone
PubChem CID14971970
Molecular FormulaC20H42OSi4
Molecular Weight410.90 g/mol
Exact Mass410.23
IUPAC Name2-adamantyl-tris(trimethylsilyl)silylmethanone
SMILESC[Si](C)(C)[Si](C(=O)C1C2CC3CC(C2)CC1C3)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H42OSi4/c1-22(2,3)25(23(4,5)6,24(7,8)9)20(21)19-17-11-15-10-16(13-17)14-18(19)12-15/h15-19H,10-14H2,1-9H3
InChIKeyQVVJLTVSBWUOKA-UHFFFAOYSA-N
XLogP5.87
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 ≤ 55.87
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-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
1-Adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone
CID 135006656
1-Adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone
CID 13449011
(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one
CID 10085085
CID 13515542
CID 13515542
1-[Adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one
CID 15357746
[Adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone
CID 15357747
Lithium adamantane-1-carbonyl-bis(trimethylsilyl)silanide
CID 15900433
Adamantane-1-carbonyl-bis(trimethylsilyl)silanide
CID 15900434
CID 100937355
CID 100937355

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-tris(trimethylsilyl)silylmethanone?
The IUPAC name of 2-adamantyl-tris(trimethylsilyl)silylmethanone (CID 14971970) is 2-adamantyl-tris(trimethylsilyl)silylmethanone.
What is the SMILES notation for 2-adamantyl-tris(trimethylsilyl)silylmethanone?
The canonical SMILES for 2-adamantyl-tris(trimethylsilyl)silylmethanone is C[Si](C)(C)[Si](C(=O)C1C2CC3CC(C2)CC1C3)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2-adamantyl-tris(trimethylsilyl)silylmethanone?
The InChIKey is QVVJLTVSBWUOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42OSi4/c1-22(2,3)25(23(4,5)6,24(7,8)9)20(21)19-17-11-15-10-16(13-17)14-18(19)12-15/h15-19H,10-14H2,1-9H3.
What are the key properties of 2-adamantyl-tris(trimethylsilyl)silylmethanone?
2-adamantyl-tris(trimethylsilyl)silylmethanone has a molecular weight of 410.90 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-tris(trimethylsilyl)silylmethanone is sourced from PubChem (CID 14971970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).