(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one

C18H34O2Si — CID 10403154

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one
SMILESCC(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)CC[C@@H]2C[C@@H]21
InChIInChI=1S/C18H34O2Si/c1-13(19)8-9-16(20-21(6,7)17(2,3)4)18(5)11-10-14-12-15(14)18/h14-16H,8-12H2,1-7H3/t14-,15+,16+,18+/m1/s1
InChIKeyRGRJQVXUMLBUMG-CVYDXHPNSA-N
MW310.55 g/mol
LogP5.18
Rot. Bonds6

About (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one

(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one (PubChem CID 10403154) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one
PubChem CID10403154
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one
SMILESCC(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)CC[C@@H]2C[C@@H]21
InChIInChI=1S/C18H34O2Si/c1-13(19)8-9-16(20-21(6,7)17(2,3)4)18(5)11-10-14-12-15(14)18/h14-16H,8-12H2,1-7H3/t14-,15+,16+,18+/m1/s1
InChIKeyRGRJQVXUMLBUMG-CVYDXHPNSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.18
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 (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one (CID 10403154) is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one is CC(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)CC[C@@H]2C[C@@H]21.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one?
The InChIKey is RGRJQVXUMLBUMG-CVYDXHPNSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13(19)8-9-16(20-21(6,7)17(2,3)4)18(5)11-10-14-12-15(14)18/h14-16H,8-12H2,1-7H3/t14-,15+,16+,18+/m1/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one?
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one has a molecular weight of 310.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one is sourced from PubChem (CID 10403154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).