1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one

C22H42O2Si3 — CID 15357746

IUPAC1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H42O2Si3/c1-21(2,3)19(23)27(25(4,5)6,26(7,8)9)20(24)22-13-16-10-17(14-22)12-18(11-16)15-22/h16-18H,10-15H2,1-9H3
InChIKeyDQQRUELICRRGLD-UHFFFAOYSA-N
MW422.83 g/mol
LogP5.75
Rot. Bonds5

About 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one

1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one (PubChem CID 15357746) has the molecular formula C22H42O2Si3 and a molecular weight of 422.83 g/mol. Its IUPAC name is 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one
PubChem CID15357746
Molecular FormulaC22H42O2Si3
Molecular Weight422.83 g/mol
Exact Mass422.25
IUPAC Name1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H42O2Si3/c1-21(2,3)19(23)27(25(4,5)6,26(7,8)9)20(24)22-13-16-10-17(14-22)12-18(11-16)15-22/h16-18H,10-15H2,1-9H3
InChIKeyDQQRUELICRRGLD-UHFFFAOYSA-N
XLogP5.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.83
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one (CID 15357746) is 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one?
The InChIKey is DQQRUELICRRGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2Si3/c1-21(2,3)19(23)27(25(4,5)6,26(7,8)9)20(24)22-13-16-10-17(14-22)12-18(11-16)15-22/h16-18H,10-15H2,1-9H3.
What are the key properties of 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one?
1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one has a molecular weight of 422.83 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 15357746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).