3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one

C11H22O2Si — CID 175057661

IUPAC3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one
SMILESC[SiH](C)OC1C(=O)CCC1C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-11(2,3)8-6-7-9(12)10(8)13-14(4)5/h8,10,14H,6-7H2,1-5H3
InChIKeyLSYXICZKRHBXHI-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.38
Rot. Bonds2

About 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one

3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one (PubChem CID 175057661) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one.

Molecular Properties

Compound Name3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one
PubChem CID175057661
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one
SMILESC[SiH](C)OC1C(=O)CCC1C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-11(2,3)8-6-7-9(12)10(8)13-14(4)5/h8,10,14H,6-7H2,1-5H3
InChIKeyLSYXICZKRHBXHI-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one?
The IUPAC name of 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one (CID 175057661) is 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one.
What is the SMILES notation for 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one?
The canonical SMILES for 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one is C[SiH](C)OC1C(=O)CCC1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one?
The InChIKey is LSYXICZKRHBXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2,3)8-6-7-9(12)10(8)13-14(4)5/h8,10,14H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one?
3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one has a molecular weight of 214.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-dimethylsilyloxycyclopentan-1-one is sourced from PubChem (CID 175057661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).