6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one

C15H28O2Si — CID 10923561

IUPAC6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCC1CCC=CC1=O
InChIInChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)17-12-8-10-13-9-6-7-11-14(13)16/h7,11,13H,6,8-10,12H2,1-5H3
InChIKeyONRYKDJQWUGXBA-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds5

About 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one

6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one (PubChem CID 10923561) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
PubChem CID10923561
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCC1CCC=CC1=O
InChIInChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)17-12-8-10-13-9-6-7-11-14(13)16/h7,11,13H,6,8-10,12H2,1-5H3
InChIKeyONRYKDJQWUGXBA-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
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'}

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Related Compounds

(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
3-[Tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 15660281
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(4S,5S)-5-methyl-4-((trimethylsilyl)oxy)cyclohex-2-en-1-one
CID 86277847
(4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one
CID 135016080
(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 135039907
4-(3-((Tert-butyldimethylsilyl)oxy)propyl)-4-(3-methylbut-2-en-1-yl)cyclohex-2-en-1-one
CID 162786833
(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 164665587
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyldodec-2-en-1-one
CID 10023579
(4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-one
CID 10590061
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212

Frequently Asked Questions

What is the IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one?
The IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one (CID 10923561) is 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one.
What is the SMILES notation for 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one?
The canonical SMILES for 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OCCCC1CCC=CC1=O.
What is the InChIKey of 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one?
The InChIKey is ONRYKDJQWUGXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)17-12-8-10-13-9-6-7-11-14(13)16/h7,11,13H,6,8-10,12H2,1-5H3.
What are the key properties of 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one?
6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one is sourced from PubChem (CID 10923561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).