[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane

C16H30OSi — CID 11242587

IUPAC[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CC[C@@H]2C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2C1
InChIInChI=1S/C16H30OSi/c1-12-7-9-14-13(11-12)8-10-15(14)17-18(5,6)16(2,3)4/h7,13-15H,8-11H2,1-6H3/t13-,14+,15?/m1/s1
InChIKeyMSJMTRBHFUEGHD-GNXJLENFSA-N
MW266.50 g/mol
LogP5.14
Rot. Bonds2

About [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane

[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11242587) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11242587
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CC[C@@H]2C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2C1
InChIInChI=1S/C16H30OSi/c1-12-7-9-14-13(11-12)8-10-15(14)17-18(5,6)16(2,3)4/h7,13-15H,8-11H2,1-6H3/t13-,14+,15?/m1/s1
InChIKeyMSJMTRBHFUEGHD-GNXJLENFSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.14
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

[(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 24896923
(3a,4-Dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
[(1S,3aR,8aS)-4-methyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulen-1-yl]oxy-tert-butyl-dimethylsilane
CID 134957299
[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11780869
[(1S,3aS,7aS)-4-ethenyl-5,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 58379355
[(1S,3aS,7aS)-4-ethyl-5,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 58379433
[(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 58379445
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630454
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-but-3-enyl-di(propan-2-yl)silane
CID 58630455
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630462
[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918222

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (CID 11242587) is [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is CC1=CC[C@@H]2C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2C1.
What is the InChIKey of [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MSJMTRBHFUEGHD-GNXJLENFSA-N. The full InChI is InChI=1S/C16H30OSi/c1-12-7-9-14-13(11-12)8-10-15(14)17-18(5,6)16(2,3)4/h7,13-15H,8-11H2,1-6H3/t13-,14+,15?/m1/s1.
What are the key properties of [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11242587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).