2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid

C23H50O2Si5 — CID 14641002

IUPAC2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid
SMILESC[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C(C(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H50O2Si5/c1-26(2,3)30(27(4,5)6,28(7,8)9)29(10,11)21(22(24)25)23-15-18-12-19(16-23)14-20(13-18)17-23/h18-21H,12-17H2,1-11H3,(H,24,25)
InChIKeyJQZJZFNHMQOZAC-UHFFFAOYSA-N
MW499.08 g/mol
LogP7.14
Rot. Bonds7

About 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid

2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid (PubChem CID 14641002) has the molecular formula C23H50O2Si5 and a molecular weight of 499.08 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid.

Molecular Properties

Compound Name2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid
PubChem CID14641002
Molecular FormulaC23H50O2Si5
Molecular Weight499.08 g/mol
Exact Mass498.27
IUPAC Name2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid
SMILESC[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C(C(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H50O2Si5/c1-26(2,3)30(27(4,5)6,28(7,8)9)29(10,11)21(22(24)25)23-15-18-12-19(16-23)14-20(13-18)17-23/h18-21H,12-17H2,1-11H3,(H,24,25)
InChIKeyJQZJZFNHMQOZAC-UHFFFAOYSA-N
XLogP7.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.08
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)propanedioic acid;methane
CID 158035094
2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577
2-(1-adamantyl)-2-bromoacetic acid
CID 2769715
2-(1-adamantyl)but-3-ynoic acid
CID 23219350
2-(1-adamantyl)-2-(methylamino)acetic acid
CID 11229817
2-(1-adamantyl)-2-aminoacetic acid;hydrochloride
CID 75301043
2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride
CID 131675912
(2S)-2-acetamido-2-(1-adamantyl)acetic acid
CID 11253749
2-[3-(1-carboxyethyl)-1-adamantyl]propanoic acid
CID 170199454
2-(1-adamantyl)-3-aminobutanedioic acid
CID 20976630
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
acetic acid;1-chloroadamantane
CID 175013443

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid?
The IUPAC name of 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid (CID 14641002) is 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid.
What is the SMILES notation for 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid?
The canonical SMILES for 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid is C[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C(C(=O)O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid?
The InChIKey is JQZJZFNHMQOZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O2Si5/c1-26(2,3)30(27(4,5)6,28(7,8)9)29(10,11)21(22(24)25)23-15-18-12-19(16-23)14-20(13-18)17-23/h18-21H,12-17H2,1-11H3,(H,24,25).
What are the key properties of 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid?
2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid has a molecular weight of 499.08 g/mol, XLogP of 7.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-[dimethyl-tris(trimethylsilyl)silylsilyl]acetic acid is sourced from PubChem (CID 14641002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).