(1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one

C20H34O2Si — CID 10903778

IUPAC(1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1CCC2=CCC[C@]3(C)[C@H](C1=O)[C@H]23
InChIInChI=1S/C20H34O2Si/c1-19(2,3)23(5,6)22-13-11-15-10-9-14-8-7-12-20(4)16(14)17(20)18(15)21/h8,15-17H,7,9-13H2,1-6H3/t15-,16+,17+,20+/m1/s1
InChIKeyGGDVTRTWDWVOIR-YLAKUSLOSA-N
MW334.58 g/mol
LogP5.35
Rot. Bonds4

About (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one

(1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one (PubChem CID 10903778) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one.

Molecular Properties

Compound Name(1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one
PubChem CID10903778
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name(1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1CCC2=CCC[C@]3(C)[C@H](C1=O)[C@H]23
InChIInChI=1S/C20H34O2Si/c1-19(2,3)23(5,6)22-13-11-15-10-9-14-8-7-12-20(4)16(14)17(20)18(15)21/h8,15-17H,7,9-13H2,1-6H3/t15-,16+,17+,20+/m1/s1
InChIKeyGGDVTRTWDWVOIR-YLAKUSLOSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-10-one
CID 127041220
(1R,3E,7E,11R)-4,8-dimethyl-13-tri(propan-2-yl)silyloxybicyclo[9.4.0]pentadeca-3,7,12-triene-1-carbaldehyde
CID 11697685
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbicyclo[2.2.1]hept-2-en-7-one
CID 75628889
Methyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-3-enyl]acetate
CID 101142473
2-[(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-3-enyl]acetaldehyde
CID 134858433
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496
(1S,2S,5R,8R)-1,3,5,7-tetramethyl-4-tri(propan-2-yl)silyloxytricyclo[3.3.1.02,8]nona-3,6-dien-9-one
CID 164676044
(1aR,4S,7R,7aR,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-2,3,4,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-6-one
CID 10915038
(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1-dimethyl-2,3,4,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-6-one
CID 11110430
(4S,4aR,8aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
CID 11824662
4a-Methyl-5-[3-tri(propan-2-yl)silyloxypropyl]-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 68540827
(3aR,7aR)-7a-methyl-1-[1-(4-methyl-5-trimethylsilyloxypentyl)cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 140107655

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one?
The IUPAC name of (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one (CID 10903778) is (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one.
What is the SMILES notation for (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one?
The canonical SMILES for (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one is CC(C)(C)[Si](C)(C)OCC[C@H]1CCC2=CCC[C@]3(C)[C@H](C1=O)[C@H]23.
What is the InChIKey of (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one?
The InChIKey is GGDVTRTWDWVOIR-YLAKUSLOSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-19(2,3)23(5,6)22-13-11-15-10-9-14-8-7-12-20(4)16(14)17(20)18(15)21/h8,15-17H,7,9-13H2,1-6H3/t15-,16+,17+,20+/m1/s1.
What are the key properties of (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one?
(1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one has a molecular weight of 334.58 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,11S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one is sourced from PubChem (CID 10903778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).