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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3E,8E,10E)-1-cyclohexyl-12-methyl-1-triethylsilyloxytrideca-3,8,10-trien-2-one
CID 13186568
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
9-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione
CID 135068870
(7Z,9S,10R,11S)-9-[tert-butyl(dimethyl)silyl]oxy-10,14-dimethyltricyclo[9.3.0.03,7]tetradeca-1(14),3,7-trien-5-one
CID 166445993
[4-fluoro-1-[(1S)-5-[(Z)-hept-2-enyl]-4-oxocyclopent-2-en-1-yl]octan-3-yl]oxy-dimethylsilanylium
CID 91017296
(2R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyloctyl]-2-hepta-3,4-dienylcyclopent-3-en-1-one
CID 57200192
CID 59963468
CID 59963468
(2R)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylnonyl]-2-hepta-3,4-dienylcyclopent-3-en-1-one
CID 145807093
(2E,4E,6E,8E,10E)-2,7,11-trimethyl-12-oxo-13-[(4R)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]trideca-2,4,6,8,10-pentaenal
CID 10480975
4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]cyclohex-2-en-1-one
CID 10881015
2-[(E,1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethyl-6-trimethylsilylhex-4-enyl]cyclohex-2-en-1-one
CID 11101623
(E,7S,8S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5,7-trimethyltetradec-4-en-6-one
CID 11113969

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).