4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one

C15H28O2Si — CID 139985479

IUPAC4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one
SMILESCC(C)[Si](OC1C=CC(=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-14(16)8-10-15/h7,9,11-13,15H,8,10H2,1-6H3
InChIKeyPJCRFZPRGCEULR-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.47
Rot. Bonds5

About 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one

4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one (PubChem CID 139985479) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one
PubChem CID139985479
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one
SMILESCC(C)[Si](OC1C=CC(=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-14(16)8-10-15/h7,9,11-13,15H,8,10H2,1-6H3
InChIKeyPJCRFZPRGCEULR-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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
5-{[tert-Butyl(dimethyl)silyl]oxy}cyclohex-2-en-1-one
CID 10307993
5alpha-(tert-Butyldimethylsiloxy)-2-cyclohexen-1-one
CID 11128022
2-Cyclohexen-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11345167
6-Trimethylsilyloxycyclohex-2-en-1-one
CID 25191932
2-Cyclopenten-1-one, 4-[[tris(1-methylethyl)silyl]oxy]-, (4S)-
CID 11817669
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(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-iodocyclohex-2-en-1-one
CID 15410931
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
The IUPAC name of 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one (CID 139985479) is 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
The canonical SMILES for 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one is CC(C)[Si](OC1C=CC(=O)CC1)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
The InChIKey is PJCRFZPRGCEULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-14(16)8-10-15/h7,9,11-13,15H,8,10H2,1-6H3.
What are the key properties of 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silyloxycyclohex-2-en-1-one is sourced from PubChem (CID 139985479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).