7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one

C18H36O3Si — CID 102286780

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCCOC(=O)CCCC1
InChIInChI=1S/C18H36O3Si/c1-18(2,3)22(4,5)21-16-12-8-6-7-11-15-20-17(19)14-10-9-13-16/h16H,6-15H2,1-5H3
InChIKeyXKMWQZXCZWFTHN-UHFFFAOYSA-N
MW328.57 g/mol
LogP5.44
Rot. Bonds2

About 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one

7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one (PubChem CID 102286780) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one
PubChem CID102286780
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCCCOC(=O)CCCC1
InChIInChI=1S/C18H36O3Si/c1-18(2,3)22(4,5)21-16-12-8-6-7-11-15-20-17(19)14-10-9-13-16/h16H,6-15H2,1-5H3
InChIKeyXKMWQZXCZWFTHN-UHFFFAOYSA-N
XLogP5.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 85308334
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19385088
(2-oxo-oxacycloheptadec-7-yl) acetate
CID 54004174
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
tert-butyl-dimethyl-(5-methylidenecyclooctyl)oxysilane
CID 11118631
tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-cyclopentylfuran-2,5-dione
CID 90184945

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one (CID 102286780) is 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one is CC(C)(C)[Si](C)(C)OC1CCCCCCOC(=O)CCCC1.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one?
The InChIKey is XKMWQZXCZWFTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-18(2,3)22(4,5)21-16-12-8-6-7-11-15-20-17(19)14-10-9-13-16/h16H,6-15H2,1-5H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one?
7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one has a molecular weight of 328.57 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-oxacyclotridecan-2-one is sourced from PubChem (CID 102286780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).