4-tri(propan-2-yl)silyloxycyclohexan-1-one

C15H30O2Si — CID 11000139

IUPAC4-tri(propan-2-yl)silyloxycyclohexan-1-one
SMILESCC(C)[Si](OC1CCC(=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-14(16)8-10-15/h11-13,15H,7-10H2,1-6H3
InChIKeyTZQRNBGGOVBEOR-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.69
Rot. Bonds5

About 4-tri(propan-2-yl)silyloxycyclohexan-1-one

4-tri(propan-2-yl)silyloxycyclohexan-1-one (PubChem CID 11000139) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxycyclohexan-1-one.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxycyclohexan-1-one
PubChem CID11000139
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name4-tri(propan-2-yl)silyloxycyclohexan-1-one
SMILESCC(C)[Si](OC1CCC(=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-14(16)8-10-15/h11-13,15H,7-10H2,1-6H3
InChIKeyTZQRNBGGOVBEOR-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.69
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

4-(tert-Butyldimethylsilyloxy)cyclohexanone
CID 10609430
Cyclohexanone, 2-[(trimethylsilyl)oxy]-
CID 11389834
Cyclohexanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 12927462
4-[(Trimethylsilyl)oxy]cyclohexanone
CID 53439909
2-(tert-Butyldimethylsilyloxy)cyclohexanone
CID 11195546
(6R)-6-[tert-butyl(dimethyl)silyl]oxyoctan-3-one
CID 135039894
3-Trimethylsilyloxycyclohexan-1-one
CID 13141461
6-Triethylsilyloxyhexan-2-one
CID 18622639
6-Trimethylsilyloxyhexan-3-one
CID 18622666
7-Triethylsilyloxyheptan-2-one
CID 18622732
6-Triethylsilyloxyhexan-3-one
CID 18622799
4-(Triethylsilyloxy)cyclohexanone
CID 57422008

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silyloxycyclohexan-1-one?
The IUPAC name of 4-tri(propan-2-yl)silyloxycyclohexan-1-one (CID 11000139) is 4-tri(propan-2-yl)silyloxycyclohexan-1-one.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxycyclohexan-1-one?
The canonical SMILES for 4-tri(propan-2-yl)silyloxycyclohexan-1-one is CC(C)[Si](OC1CCC(=O)CC1)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silyloxycyclohexan-1-one?
The InChIKey is TZQRNBGGOVBEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-14(16)8-10-15/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 4-tri(propan-2-yl)silyloxycyclohexan-1-one?
4-tri(propan-2-yl)silyloxycyclohexan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.69, 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)silyloxycyclohexan-1-one is sourced from PubChem (CID 11000139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).