3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one

C16H30O2Si — CID 10755367

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC1=CC(=O)CCC1
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-12-7-6-9-14-10-8-11-15(17)13-14/h13H,6-12H2,1-5H3
InChIKeyRNNBCSYAEPDPDX-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.86
Rot. Bonds6

About 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one

3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one (PubChem CID 10755367) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one
PubChem CID10755367
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC1=CC(=O)CCC1
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-12-7-6-9-14-10-8-11-15(17)13-14/h13H,6-12H2,1-5H3
InChIKeyRNNBCSYAEPDPDX-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-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

2-Cyclohexen-1-one, 2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-
CID 11230203
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-one
CID 15649272
3-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutyl]cyclohex-2-en-1-one
CID 11022792
Ethanone, 1-[2-[(trimethylsilyl)oxy]-1-cyclohexen-1-yl]-
CID 11275891
(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
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one
CID 101265045
(E)-1-[tert-butyl(dimethyl)silyl]oxytridec-5-en-7-one
CID 101738214
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyltridec-3-en-7-one
CID 102321146
(5S)-2-methyl-5-prop-1-en-2-yl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-one
CID 134945473
3-Ethyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 134966340

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one (CID 10755367) is 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OCCCCC1=CC(=O)CCC1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one?
The InChIKey is RNNBCSYAEPDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-16(2,3)19(4,5)18-12-7-6-9-14-10-8-11-15(17)13-14/h13H,6-12H2,1-5H3.
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one?
3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohex-2-en-1-one is sourced from PubChem (CID 10755367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).