(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one

C15H28OSi2 — CID 10085085

IUPAC(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one
SMILESC[Si](C)(C)[Si](C)(C)C12CC3C[C@H](C1)C(=O)[C@@H](C3)C2
InChIInChI=1S/C15H28OSi2/c1-17(2,3)18(4,5)15-8-11-6-12(9-15)14(16)13(7-11)10-15/h11-13H,6-10H2,1-5H3/t11?,12-,13+,15?
InChIKeyGZWVXJBGADUOPI-WZSRBFQBSA-N
MW280.56 g/mol
LogP4.26
Rot. Bonds2

About (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one

(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one (PubChem CID 10085085) has the molecular formula C15H28OSi2 and a molecular weight of 280.56 g/mol. Its IUPAC name is (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one.

Molecular Properties

Compound Name(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one
PubChem CID10085085
Molecular FormulaC15H28OSi2
Molecular Weight280.56 g/mol
Exact Mass280.17
IUPAC Name(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one
SMILESC[Si](C)(C)[Si](C)(C)C12CC3C[C@H](C1)C(=O)[C@@H](C3)C2
InChIInChI=1S/C15H28OSi2/c1-17(2,3)18(4,5)15-8-11-6-12(9-15)14(16)13(7-11)10-15/h11-13H,6-10H2,1-5H3/t11?,12-,13+,15?
InChIKeyGZWVXJBGADUOPI-WZSRBFQBSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.56
LogP ≤ 54.26
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
4-Trimethylsilyladamantan-2-one
CID 13131348
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
1-Adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone
CID 135006656
1-Adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone
CID 13449011
Adamantan-2-one;ethane
CID 90847948
1-Trimethylsilyladamantan-2-one
CID 91171503
Adamantan-2-one;ethane
CID 91518879
[4-[3-[[3-[4-(Cyclohexanecarbonyl)cyclohexyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]cyclohexyl]-cyclohexylmethanone
CID 140419736

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one?
The IUPAC name of (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one (CID 10085085) is (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one.
What is the SMILES notation for (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one?
The canonical SMILES for (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one is C[Si](C)(C)[Si](C)(C)C12CC3C[C@H](C1)C(=O)[C@@H](C3)C2.
What is the InChIKey of (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one?
The InChIKey is GZWVXJBGADUOPI-WZSRBFQBSA-N. The full InChI is InChI=1S/C15H28OSi2/c1-17(2,3)18(4,5)15-8-11-6-12(9-15)14(16)13(7-11)10-15/h11-13H,6-10H2,1-5H3/t11?,12-,13+,15?.
What are the key properties of (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one?
(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one has a molecular weight of 280.56 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one is sourced from PubChem (CID 10085085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).