(1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one

C18H34O2Si — CID 11823067

IUPAC(1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one
SMILESCC(C)C(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)CC(=O)C(C)(C)[C@H]12
InChIInChI=1S/C18H34O2Si/c1-12(2)17(5,6)21(8,9)20-13-10-18(7)11-14(19)16(3,4)15(13)18/h12-13,15H,10-11H2,1-9H3/t13-,15+,18-/m1/s1
InChIKeyNFWQUBANYKUNMG-QIIPPGSGSA-N
MW310.55 g/mol
LogP5.04
Rot. Bonds4

About (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one

(1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one (PubChem CID 11823067) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one.

Molecular Properties

Compound Name(1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one
PubChem CID11823067
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one
SMILESCC(C)C(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)CC(=O)C(C)(C)[C@H]12
InChIInChI=1S/C18H34O2Si/c1-12(2)17(5,6)21(8,9)20-13-10-18(7)11-14(19)16(3,4)15(13)18/h12-13,15H,10-11H2,1-9H3/t13-,15+,18-/m1/s1
InChIKeyNFWQUBANYKUNMG-QIIPPGSGSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3aR,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,3,3a,4,6,7,8,8a-octahydro-1H-azulen-5-one
CID 11231781
(1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one
CID 53348305
cis-(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 102336634
(1S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylbicyclo[3.2.0]heptan-2-one
CID 134856943
trans-(1R,2S)-4,4-dimethyl-2-[(1R,3S)-1-methyl-2-oxo-3-tri(propan-2-yl)silyloxycyclobutyl]cyclopentane-1-carbaldehyde
CID 162397723
(1S,5R,6R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-1,8,9,9-tetramethylbicyclo[4.2.1]nonan-7-one
CID 10041960
(1S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-1,9,9-trimethylbicyclo[4.2.1]nonan-7-one
CID 10358068
(2R,3R,3aS,8S,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
CID 10244907
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,2S,5R)-2-methyl-2-bicyclo[3.1.0]hexanyl]pentan-2-one
CID 10403154
(2S,3R,3aS,8S,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
CID 10470671
2-[(1R,2R,6S,7S)-2-[tert-butyl(dimethyl)silyl]oxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nonanyl]acetaldehyde
CID 10473238
(3aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3,3a,4,5,6,7,8,9a-octahydro-1H-cyclopenta[8]annulen-9-one
CID 10592099

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one?
The IUPAC name of (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one (CID 11823067) is (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one.
What is the SMILES notation for (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one?
The canonical SMILES for (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one is CC(C)C(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)CC(=O)C(C)(C)[C@H]12.
What is the InChIKey of (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one?
The InChIKey is NFWQUBANYKUNMG-QIIPPGSGSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-12(2)17(5,6)21(8,9)20-13-10-18(7)11-14(19)16(3,4)15(13)18/h12-13,15H,10-11H2,1-9H3/t13-,15+,18-/m1/s1.
What are the key properties of (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one?
(1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one has a molecular weight of 310.55 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one is sourced from PubChem (CID 11823067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).