1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone

C20H40OSi3 — CID 135006656

IUPAC1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone
SMILESCC(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H40OSi3/c1-15(2)24(22(3,4)5,23(6,7)8)19(21)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,9-14H2,1-8H3
InChIKeyMDHPWCAVAYZLFA-UHFFFAOYSA-N
MW380.80 g/mol
LogP6.00
Rot. Bonds5

About 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone

1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone (PubChem CID 135006656) has the molecular formula C20H40OSi3 and a molecular weight of 380.80 g/mol. Its IUPAC name is 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone.

Molecular Properties

Compound Name1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone
PubChem CID135006656
Molecular FormulaC20H40OSi3
Molecular Weight380.80 g/mol
Exact Mass380.24
IUPAC Name1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone
SMILESCC(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H40OSi3/c1-15(2)24(22(3,4)5,23(6,7)8)19(21)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,9-14H2,1-8H3
InChIKeyMDHPWCAVAYZLFA-UHFFFAOYSA-N
XLogP6.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 56.00
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
CID 164665693
CID 164665693
CID 164684060
CID 164684060
1-Adamantyl-[tert-butyl-bis(trimethylsilyl)silyl]methanone
CID 13449011
(1R,3S)-5-[dimethyl(trimethylsilyl)silyl]adamantan-2-one
CID 10085085

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone?
The IUPAC name of 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone (CID 135006656) is 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone.
What is the SMILES notation for 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone?
The canonical SMILES for 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone is CC(C)[Si](C(=O)C12CC3CC(CC(C3)C1)C2)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone?
The InChIKey is MDHPWCAVAYZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40OSi3/c1-15(2)24(22(3,4)5,23(6,7)8)19(21)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,9-14H2,1-8H3.
What are the key properties of 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone?
1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone has a molecular weight of 380.80 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[propan-2-yl-bis(trimethylsilyl)silyl]methanone is sourced from PubChem (CID 135006656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).