2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane

C15H26OSi — CID 59879659

IUPAC2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2C=CC=CC21
InChIInChI=1S/C15H26OSi/c1-15(2,3)17(4,5)16-14-11-10-12-8-6-7-9-13(12)14/h6-9,12-14H,10-11H2,1-5H3
InChIKeyCCRGLBHFTBEWOV-UHFFFAOYSA-N
MW250.46 g/mol
LogP4.53
Rot. Bonds2

About 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane

2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane (PubChem CID 59879659) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane
PubChem CID59879659
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2C=CC=CC21
InChIInChI=1S/C15H26OSi/c1-15(2,3)17(4,5)16-14-11-10-12-8-6-7-9-13(12)14/h6-9,12-14H,10-11H2,1-5H3
InChIKeyCCRGLBHFTBEWOV-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.53
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

7-Bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
trans-Indan-1,2-diol, bis-TMS
CID 6427270
[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 11242587
2-Bicyclo[2.2.1]hept-5-enyloxy(trimethyl)silane
CID 17969622
2-Bicyclo[2.2.1]hept-5-enyloxy-tris(ethenyl)silane
CID 21099642
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-1-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 58630456
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-(2-bicyclo[2.2.1]hept-5-enyl)-dimethylsilane
CID 58630457
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630462
[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;titanium(4+)
CID 59110804

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane (CID 59879659) is 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCC2C=CC=CC21.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane?
The InChIKey is CCRGLBHFTBEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi/c1-15(2,3)17(4,5)16-14-11-10-12-8-6-7-9-13(12)14/h6-9,12-14H,10-11H2,1-5H3.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane?
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane has a molecular weight of 250.46 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 59879659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).