1-triethylsilyloxy-1,2-dihydroinden-4-one

C15H22O2Si — CID 141032948

IUPAC1-triethylsilyloxy-1,2-dihydroinden-4-one
SMILESCC[Si](CC)(CC)OC1CC=C2C(=O)C=CC=C21
InChIInChI=1S/C15H22O2Si/c1-4-18(5-2,6-3)17-15-11-10-12-13(15)8-7-9-14(12)16/h7-10,15H,4-6,11H2,1-3H3
InChIKeyXKCHRINYKXVGAN-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.77
Rot. Bonds5

About 1-triethylsilyloxy-1,2-dihydroinden-4-one

1-triethylsilyloxy-1,2-dihydroinden-4-one (PubChem CID 141032948) has the molecular formula C15H22O2Si and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-triethylsilyloxy-1,2-dihydroinden-4-one.

Molecular Properties

Compound Name1-triethylsilyloxy-1,2-dihydroinden-4-one
PubChem CID141032948
Molecular FormulaC15H22O2Si
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name1-triethylsilyloxy-1,2-dihydroinden-4-one
SMILESCC[Si](CC)(CC)OC1CC=C2C(=O)C=CC=C21
InChIInChI=1S/C15H22O2Si/c1-4-18(5-2,6-3)17-15-11-10-12-13(15)8-7-9-14(12)16/h7-10,15H,4-6,11H2,1-3H3
InChIKeyXKCHRINYKXVGAN-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.77
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

(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 10911273
(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 11096317
2-Cyclohexen-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11345167
3-But-3-enyl-2-(2-methylprop-1-enyl)-4-trimethylsilyloxycyclobut-2-en-1-one
CID 10706768
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
CID 12666238
4-((tert-Butyldimethylsilyl)oxy)-3-methylcyclohex-2-en-1-one
CID 12666239
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one
CID 46919446
3-Ethyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 134966340
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one
CID 10427154
4-[Tert-butyl(dimethyl)silyl]oxy-5-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-one
CID 70003441
4-Triethylsilyloxycyclohex-2-en-1-one
CID 101739535
4-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 139985479

Frequently Asked Questions

What is the IUPAC name of 1-triethylsilyloxy-1,2-dihydroinden-4-one?
The IUPAC name of 1-triethylsilyloxy-1,2-dihydroinden-4-one (CID 141032948) is 1-triethylsilyloxy-1,2-dihydroinden-4-one.
What is the SMILES notation for 1-triethylsilyloxy-1,2-dihydroinden-4-one?
The canonical SMILES for 1-triethylsilyloxy-1,2-dihydroinden-4-one is CC[Si](CC)(CC)OC1CC=C2C(=O)C=CC=C21.
What is the InChIKey of 1-triethylsilyloxy-1,2-dihydroinden-4-one?
The InChIKey is XKCHRINYKXVGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-4-18(5-2,6-3)17-15-11-10-12-13(15)8-7-9-14(12)16/h7-10,15H,4-6,11H2,1-3H3.
What are the key properties of 1-triethylsilyloxy-1,2-dihydroinden-4-one?
1-triethylsilyloxy-1,2-dihydroinden-4-one has a molecular weight of 262.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilyloxy-1,2-dihydroinden-4-one is sourced from PubChem (CID 141032948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).