5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one

C28H48O3Si2 — CID 139838418

IUPAC5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one
SMILESCC1=CC=C2C(CCCC(C)C(CCCCC(C)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C2C1=O
InChIInChI=1S/C28H48O3Si2/c1-21(13-12-15-24-18-20-26-25(24)19-17-22(2)28(26)29)27(31-33(7,8)9)16-11-10-14-23(3)30-32(4,5)6/h17-21,23,27H,10-16H2,1-9H3
InChIKeyXBOUZGLKIGSPHE-UHFFFAOYSA-N
MW488.86 g/mol
LogP8.14
Rot. Bonds14

About 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one

5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one (PubChem CID 139838418) has the molecular formula C28H48O3Si2 and a molecular weight of 488.86 g/mol. Its IUPAC name is 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one.

Molecular Properties

Compound Name5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one
PubChem CID139838418
Molecular FormulaC28H48O3Si2
Molecular Weight488.86 g/mol
Exact Mass488.31
IUPAC Name5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one
SMILESCC1=CC=C2C(CCCC(C)C(CCCCC(C)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C2C1=O
InChIInChI=1S/C28H48O3Si2/c1-21(13-12-15-24-18-20-26-25(24)19-17-22(2)28(26)29)27(31-33(7,8)9)16-11-10-14-23(3)30-32(4,5)6/h17-21,23,27H,10-16H2,1-9H3
InChIKeyXBOUZGLKIGSPHE-UHFFFAOYSA-N
XLogP8.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.86
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one?
The IUPAC name of 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one (CID 139838418) is 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one.
What is the SMILES notation for 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one?
The canonical SMILES for 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one is CC1=CC=C2C(CCCC(C)C(CCCCC(C)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C2C1=O.
What is the InChIKey of 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one?
The InChIKey is XBOUZGLKIGSPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O3Si2/c1-21(13-12-15-24-18-20-26-25(24)19-17-22(2)28(26)29)27(31-33(7,8)9)16-11-10-14-23(3)30-32(4,5)6/h17-21,23,27H,10-16H2,1-9H3.
What are the key properties of 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one?
5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one has a molecular weight of 488.86 g/mol, XLogP of 8.14, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one is sourced from PubChem (CID 139838418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).