[(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane

C18H34O2Si — CID 102322360

IUPAC[(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1[C@H]2CC=C[C@H](COC)[C@H]2C[C@H]1C
InChIInChI=1S/C18H34O2Si/c1-6-21(7-2,8-3)20-18-14(4)12-17-15(13-19-5)10-9-11-16(17)18/h9-10,14-18H,6-8,11-13H2,1-5H3/t14-,15-,16+,17-,18-/m1/s1
InChIKeyCEBGNDBMPCKWNE-UYTYNIKBSA-N
MW310.55 g/mol
LogP4.87
Rot. Bonds7

About [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane

[(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane (PubChem CID 102322360) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane
PubChem CID102322360
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name[(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1[C@H]2CC=C[C@H](COC)[C@H]2C[C@H]1C
InChIInChI=1S/C18H34O2Si/c1-6-21(7-2,8-3)20-18-14(4)12-17-15(13-19-5)10-9-11-16(17)18/h9-10,14-18H,6-8,11-13H2,1-5H3/t14-,15-,16+,17-,18-/m1/s1
InChIKeyCEBGNDBMPCKWNE-UYTYNIKBSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.87
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

4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
CID 134872600
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11780869
[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918222
[(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918223
[(1S,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918229
[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918234
[(3S)-1-[(6Z,8aR,9S,10R,11aS)-10-methyl-2-methylidene-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-9-yl]octan-3-yl]oxy-tert-butyl-dimethylsilane
CID 68031890
[1-[(5Z,7aR,8S,9R,10aS)-9-methyl-2-methylidene-3,4,7,7a,8,9,10,10a-octahydrocyclopenta[b]oxonin-8-yl]-3-methyloctan-3-yl]oxy-tert-butyl-dimethylsilane
CID 68031891
[1-[(6Z,8aR,9S,10R,11aS)-10-methyl-2-methylidene-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-9-yl]-3-methyloctan-3-yl]oxy-tert-butyl-dimethylsilane
CID 68031901
[(1S,2S,3aR,7aR)-2-methoxy-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
CID 142714662
tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane
CID 153243261

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane?
The IUPAC name of [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane (CID 102322360) is [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane.
What is the SMILES notation for [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane?
The canonical SMILES for [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@H]1[C@H]2CC=C[C@H](COC)[C@H]2C[C@H]1C.
What is the InChIKey of [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane?
The InChIKey is CEBGNDBMPCKWNE-UYTYNIKBSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-6-21(7-2,8-3)20-18-14(4)12-17-15(13-19-5)10-9-11-16(17)18/h9-10,14-18H,6-8,11-13H2,1-5H3/t14-,15-,16+,17-,18-/m1/s1.
What are the key properties of [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane?
[(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane has a molecular weight of 310.55 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3aR,4S,7aS)-4-(methoxymethyl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane is sourced from PubChem (CID 102322360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).