2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane

C15H30OSi — CID 58666139

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2CCCC2C1
InChIInChI=1S/C15H30OSi/c1-15(2,3)17(4,5)16-14-10-9-12-7-6-8-13(12)11-14/h12-14H,6-11H2,1-5H3
InChIKeyLAFGZEWCDGKBHO-UHFFFAOYSA-N
MW254.49 g/mol
LogP4.98
Rot. Bonds2

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane (PubChem CID 58666139) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane
PubChem CID58666139
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2CCCC2C1
InChIInChI=1S/C15H30OSi/c1-15(2,3)17(4,5)16-14-10-9-12-7-6-8-13(12)11-14/h12-14H,6-11H2,1-5H3
InChIKeyLAFGZEWCDGKBHO-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(1R,3aR,4S,7aR)-1-[(2S)-hexan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 58907924
[(1R,3aR,4S,7aR)-1-[(2S)-6,6-dimethylheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 67747448
3,4-Dimethyl-1-dimethylsilyloxycyclohexane
CID 175672769
1-Trimethylsilyloxy-3,4-dimethylcyclohexane
CID 554698
3,4-Dimethyl-1-methyl(tetramethylene)silyloxycyclohexane
CID 598017
(7a-Methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl)oxy-tert-butyl-dimethylsilane
CID 17914797
[(4S)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane
CID 53907687
[(4R)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethylsilane
CID 57162606
[(3aR,4S,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 57257483
[(1R,3aR,7aR)-1-[(2S)-hexan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 58652561
[(3aR,4S,7aR)-7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 58676937
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propoxy-trimethylsilane
CID 58761599

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane (CID 58666139) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCC2CCCC2C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane?
The InChIKey is LAFGZEWCDGKBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-15(2,3)17(4,5)16-14-10-9-12-7-6-8-13(12)11-14/h12-14H,6-11H2,1-5H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 58666139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).