[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone

C28H48O2Si3 — CID 15357747

IUPAC[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone
SMILESC[Si](C)(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C
InChIInChI=1S/C28H48O2Si3/c1-31(2,3)33(32(4,5)6,25(29)27-13-19-7-20(14-27)9-21(8-19)15-27)26(30)28-16-22-10-23(17-28)12-24(11-22)18-28/h19-24H,7-18H2,1-6H3
InChIKeyPZOXQJJJOFJGOR-UHFFFAOYSA-N
MW500.95 g/mol
LogP6.92
Rot. Bonds6

About [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone

[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone (PubChem CID 15357747) has the molecular formula C28H48O2Si3 and a molecular weight of 500.95 g/mol. Its IUPAC name is [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone.

Molecular Properties

Compound Name[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone
PubChem CID15357747
Molecular FormulaC28H48O2Si3
Molecular Weight500.95 g/mol
Exact Mass500.30
IUPAC Name[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone
SMILESC[Si](C)(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C
InChIInChI=1S/C28H48O2Si3/c1-31(2,3)33(32(4,5)6,25(29)27-13-19-7-20(14-27)9-21(8-19)15-27)26(30)28-16-22-10-23(17-28)12-24(11-22)18-28/h19-24H,7-18H2,1-6H3
InChIKeyPZOXQJJJOFJGOR-UHFFFAOYSA-N
XLogP6.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.95
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-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
CID 13515542
CID 13515542

Frequently Asked Questions

What is the IUPAC name of [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone?
The IUPAC name of [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone (CID 15357747) is [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone.
What is the SMILES notation for [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone?
The canonical SMILES for [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone is C[Si](C)(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)(C(=O)C12CC3CC(CC(C3)C1)C2)[Si](C)(C)C.
What is the InChIKey of [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone?
The InChIKey is PZOXQJJJOFJGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O2Si3/c1-31(2,3)33(32(4,5)6,25(29)27-13-19-7-20(14-27)9-21(8-19)15-27)26(30)28-16-22-10-23(17-28)12-24(11-22)18-28/h19-24H,7-18H2,1-6H3.
What are the key properties of [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone?
[adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone has a molecular weight of 500.95 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [adamantane-1-carbonyl-bis(trimethylsilyl)silyl]-(1-adamantyl)methanone is sourced from PubChem (CID 15357747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).