[(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane

C23H42OSi — CID 135014361

IUPAC[(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane
SMILESCCCCC1=CC2=C(CC[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1C
InChIInChI=1S/C23H42OSi/c1-9-10-11-20-15-22-21(14-19(20)8)12-13-23(22)24-25(16(2)3,17(4)5)18(6)7/h15-19,23H,9-14H2,1-8H3/t19-,23+/m0/s1
InChIKeyGNAGHIWZWPCHBL-WMZHIEFXSA-N
MW362.67 g/mol
LogP7.79
Rot. Bonds8

About [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane

[(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 135014361) has the molecular formula C23H42OSi and a molecular weight of 362.67 g/mol. Its IUPAC name is [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID135014361
Molecular FormulaC23H42OSi
Molecular Weight362.67 g/mol
Exact Mass362.30
IUPAC Name[(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane
SMILESCCCCC1=CC2=C(CC[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1C
InChIInChI=1S/C23H42OSi/c1-9-10-11-20-15-22-21(14-19(20)8)12-13-23(22)24-25(16(2)3,17(4)5)18(6)7/h15-19,23H,9-14H2,1-8H3/t19-,23+/m0/s1
InChIKeyGNAGHIWZWPCHBL-WMZHIEFXSA-N
XLogP7.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.67
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane
CID 10689513
tert-butyl-[(1R,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10848449
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-[(1R,5R)-3-ethenyl-5-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11064929
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
Tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane
CID 101011318
tert-butyl-[(1R,4E)-3-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414672
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
tert-butyl-dimethyl-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]oxysilane
CID 134859193
Tert-butyl-(4-decyl-2-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 134905111

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane (CID 135014361) is [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane is CCCCC1=CC2=C(CC[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1C.
What is the InChIKey of [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is GNAGHIWZWPCHBL-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H42OSi/c1-9-10-11-20-15-22-21(14-19(20)8)12-13-23(22)24-25(16(2)3,17(4)5)18(6)7/h15-19,23H,9-14H2,1-8H3/t19-,23+/m0/s1.
What are the key properties of [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane?
[(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 362.67 g/mol, XLogP of 7.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-butyl-5-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 135014361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).