[(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane

C15H28OSi — CID 24896923

IUPAC[(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C1
InChIInChI=1S/C15H28OSi/c1-11-7-12-9-14(10-13(12)8-11)16-17(5,6)15(2,3)4/h7,12-14H,8-10H2,1-6H3/t12-,13+,14+/m0/s1
InChIKeyCUKYOSSBZWSEIM-BFHYXJOUSA-N
MW252.47 g/mol
LogP4.75
Rot. Bonds2

About [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane

[(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 24896923) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID24896923
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name[(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C1
InChIInChI=1S/C15H28OSi/c1-11-7-12-9-14(10-13(12)8-11)16-17(5,6)15(2,3)4/h7,12-14H,8-10H2,1-6H3/t12-,13+,14+/m0/s1
InChIKeyCUKYOSSBZWSEIM-BFHYXJOUSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane 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

[(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl]oxy-triethylsilane
CID 45276649
[(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 102445292
[(1S,3aR,8aS)-4-methyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulen-1-yl]oxy-tert-butyl-dimethylsilane
CID 134957299
[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 11242587
[(4Z)-5,8-dimethylcyclooct-4-en-1-yl]oxy-trimethylsilane
CID 23092765
[(2R,3aS,6aS)-6a-[(Z)-prop-1-enyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 68115952
2-Bicyclo[2.2.1]hept-4-enylmethoxy(trimethyl)silane
CID 68488685
(5,8-Dimethylcyclooct-4-en-1-yl)oxy-trimethylsilane
CID 68741992
tert-butyl-[(1R,3R,4S)-3-ethyl-4-methyl-2-methylidenecyclopentyl]oxy-dimethylsilane
CID 89888939
(2S,3aR,6aS)-2-methoxy-5-methyl-1,2,3,3a,4,6a-hexahydropentalene
CID 145689119
1-(2-Bicyclo[2.2.1]hept-5-enyl)ethoxy-diethylsilane
CID 173198607
1-(2-Bicyclo[2.2.1]hept-5-enyl)propan-2-yloxy-diethylsilane
CID 173198615

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 24896923) is [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane is CC1=C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C1.
What is the InChIKey of [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CUKYOSSBZWSEIM-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H28OSi/c1-11-7-12-9-14(10-13(12)8-11)16-17(5,6)15(2,3)4/h7,12-14H,8-10H2,1-6H3/t12-,13+,14+/m0/s1.
What are the key properties of [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
[(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 24896923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).