(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one

C15H30O2Si — CID 154722427

IUPAC(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one
SMILESC[C@H](C[C@@H](C)C(=O)C1CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-11(14(16)13-8-9-13)10-12(2)17-18(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/t11-,12-/m1/s1
InChIKeyRGTXNAONSXZFIR-VXGBXAGGSA-N
MW270.49 g/mol
LogP4.40
Rot. Bonds6

About (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one (PubChem CID 154722427) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one.

Molecular Properties

Compound Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one
PubChem CID154722427
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one
SMILESC[C@H](C[C@@H](C)C(=O)C1CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-11(14(16)13-8-9-13)10-12(2)17-18(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/t11-,12-/m1/s1
InChIKeyRGTXNAONSXZFIR-VXGBXAGGSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.40
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

(+/-) 5-t-Butyldimethylsilyloxy-2-methylcycloheptanone
CID 20517420
1-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one
CID 10880179
1-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propan-1-one
CID 10901695
1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone
CID 11128488
(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one
CID 11173281
8-[Tert-butyl(dimethyl)silyl]oxy-4-methyloctan-3-one
CID 11550814
(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one
CID 12037363
1-[3-[Tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexyl]ethanone
CID 160434435

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one?
The IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one (CID 154722427) is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one.
What is the SMILES notation for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one?
The canonical SMILES for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one is C[C@H](C[C@@H](C)C(=O)C1CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one?
The InChIKey is RGTXNAONSXZFIR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-11(14(16)13-8-9-13)10-12(2)17-18(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one?
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one is sourced from PubChem (CID 154722427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).