1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone

C24H30O2Si — CID 129323384

IUPAC1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
SMILESCC(=O)C1[C@@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C24H30O2Si/c1-17(25)23-21-15-18(16-22(21)23)26-27(24(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-23H,15-16H2,1-4H3/t18?,21-,22-,23?/m1/s1
InChIKeyKVOLWBLSZRFUOH-HPYQEZSOSA-N
MW378.59 g/mol
LogP4.18
Rot. Bonds5

About 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone

1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone (PubChem CID 129323384) has the molecular formula C24H30O2Si and a molecular weight of 378.59 g/mol. Its IUPAC name is 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone.

Molecular Properties

Compound Name1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
PubChem CID129323384
Molecular FormulaC24H30O2Si
Molecular Weight378.59 g/mol
Exact Mass378.20
IUPAC Name1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
SMILESCC(=O)C1[C@@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C24H30O2Si/c1-17(25)23-21-15-18(16-22(21)23)26-27(24(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-23H,15-16H2,1-4H3/t18?,21-,22-,23?/m1/s1
InChIKeyKVOLWBLSZRFUOH-HPYQEZSOSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone with MolForge

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
[(1S,3S,4S,5R)-3-acetyloxy-5-[tert-butyl(diphenyl)silyl]oxy-4-methylcyclohexyl] acetate
CID 10863628
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
CID 11977280
4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 71317354
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone?
The IUPAC name of 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone (CID 129323384) is 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone.
What is the SMILES notation for 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone?
The canonical SMILES for 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone is CC(=O)C1[C@@H]2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H]12.
What is the InChIKey of 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone?
The InChIKey is KVOLWBLSZRFUOH-HPYQEZSOSA-N. The full InChI is InChI=1S/C24H30O2Si/c1-17(25)23-21-15-18(16-22(21)23)26-27(24(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-23H,15-16H2,1-4H3/t18?,21-,22-,23?/m1/s1.
What are the key properties of 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone?
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone has a molecular weight of 378.59 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone is sourced from PubChem (CID 129323384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).