[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane

C18H34OSi — CID 10968424

IUPAC[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)CCC[C@@]2(C)C1=CC[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-16(2,3)20(7,8)19-15-11-10-14-17(4,5)12-9-13-18(14,15)6/h10,15H,9,11-13H2,1-8H3/t15-,18-/m0/s1
InChIKeyRTOZNXZYHBGKOI-YJBOKZPZSA-N
MW294.56 g/mol
LogP5.92
Rot. Bonds2

About [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10968424) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10968424
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)CCC[C@@]2(C)C1=CC[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-16(2,3)20(7,8)19-15-11-10-14-17(4,5)12-9-13-18(14,15)6/h10,15H,9,11-13H2,1-8H3/t15-,18-/m0/s1
InChIKeyRTOZNXZYHBGKOI-YJBOKZPZSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.92
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'}

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Related Compounds

[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21578157
(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol
CID 10957887
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
[(3aS,5R,7aS)-7a-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-inden-3a-yl]methoxy-tri(propan-2-yl)silane
CID 134945478
[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
CID 135019405
tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
CID 18636587
(1S)-1-tert-butyldimethylsilyloxy-3,4,5,5-tetramethyl-3-cyclohexene
CID 57276695
[(3aR,4S,7aS)-7a-methyl-1-propan-2-yl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 89602886
tert-butyl-[(E,1R,2S)-1-cyclohexyl-2,3-dimethylpent-3-enoxy]-dimethylsilane
CID 161975763
Tert-butyl-dimethyl-spiro[5.5]undec-2-en-5-yloxysilane
CID 173552056
Tert-butyl-(4-decyl-2-methylcyclopent-3-en-1-yl)oxy-dimethylsilane
CID 10521979
tert-butyl-dimethyl-[(1R)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxysilane
CID 10683366

Frequently Asked Questions

What is the IUPAC name of [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (CID 10968424) is [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is CC1(C)CCC[C@@]2(C)C1=CC[C@@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RTOZNXZYHBGKOI-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H34OSi/c1-16(2,3)20(7,8)19-15-11-10-14-17(4,5)12-9-13-18(14,15)6/h10,15H,9,11-13H2,1-8H3/t15-,18-/m0/s1.
What are the key properties of [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10968424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).