(1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one

C17H32O2Si — CID 11426464

IUPAC(1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
SMILESC[C@@H]1C[C@@H]2[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)C1=O)C2(C)C
InChIInChI=1S/C17H32O2Si/c1-11-9-13-14(17(13,5)6)12(15(11)18)10-19-20(7,8)16(2,3)4/h11-14H,9-10H2,1-8H3/t11-,12+,13-,14+/m1/s1
InChIKeyWKPMSLUHTDRPPC-RQJABVFESA-N
MW296.53 g/mol
LogP4.51
Rot. Bonds3

About (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one

(1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one (PubChem CID 11426464) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one.

Molecular Properties

Compound Name(1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
PubChem CID11426464
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
SMILESC[C@@H]1C[C@@H]2[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)C1=O)C2(C)C
InChIInChI=1S/C17H32O2Si/c1-11-9-13-14(17(13,5)6)12(15(11)18)10-19-20(7,8)16(2,3)4/h11-14H,9-10H2,1-8H3/t11-,12+,13-,14+/m1/s1
InChIKeyWKPMSLUHTDRPPC-RQJABVFESA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.51
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

(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042
tert-butyl-[[(1S,2R)-2,3-dimethyl-5-methylidenecyclopentyl]methoxy]-dimethylsilane
CID 59483255
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
tert-butyl-dimethyl-[[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methoxy]silane
CID 132558837
(1S,4R,7R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethylbicyclo[5.1.0]octan-3-ol
CID 10924524
[(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane
CID 11026965
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohex-2-en-1-one
CID 101372674
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one
CID 101180860
(3aS,4R,5S,7aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylcyclohexyl]-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 158698275
4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 90458282
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one?
The IUPAC name of (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one (CID 11426464) is (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one.
What is the SMILES notation for (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one?
The canonical SMILES for (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one is C[C@@H]1C[C@@H]2[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)C1=O)C2(C)C.
What is the InChIKey of (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one?
The InChIKey is WKPMSLUHTDRPPC-RQJABVFESA-N. The full InChI is InChI=1S/C17H32O2Si/c1-11-9-13-14(17(13,5)6)12(15(11)18)10-19-20(7,8)16(2,3)4/h11-14H,9-10H2,1-8H3/t11-,12+,13-,14+/m1/s1.
What are the key properties of (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one?
(1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one has a molecular weight of 296.53 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one is sourced from PubChem (CID 11426464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).