(3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one

C13H26OSi — CID 59541187

IUPAC(3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one
SMILESCC(C)[C@H]1CC(=O)C1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-9(2)10-8-11(14)12(10)15(6,7)13(3,4)5/h9-10,12H,8H2,1-7H3/t10-,12?/m1/s1
InChIKeyWJPWJUCPGBBICD-RWANSRKNSA-N
MW226.44 g/mol
LogP4.11
Rot. Bonds2

About (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one

(3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one (PubChem CID 59541187) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one.

Molecular Properties

Compound Name(3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one
PubChem CID59541187
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one
SMILESCC(C)[C@H]1CC(=O)C1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-9(2)10-8-11(14)12(10)15(6,7)13(3,4)5/h9-10,12H,8H2,1-7H3/t10-,12?/m1/s1
InChIKeyWJPWJUCPGBBICD-RWANSRKNSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one?
The IUPAC name of (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one (CID 59541187) is (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one.
What is the SMILES notation for (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one?
The canonical SMILES for (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one is CC(C)[C@H]1CC(=O)C1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one?
The InChIKey is WJPWJUCPGBBICD-RWANSRKNSA-N. The full InChI is InChI=1S/C13H26OSi/c1-9(2)10-8-11(14)12(10)15(6,7)13(3,4)5/h9-10,12H,8H2,1-7H3/t10-,12?/m1/s1.
What are the key properties of (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one?
(3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one has a molecular weight of 226.44 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[tert-butyl(dimethyl)silyl]-3-propan-2-ylcyclobutan-1-one is sourced from PubChem (CID 59541187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).