3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane

C15H28OSi — CID 58666124

IUPAC3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2C=CCC2C1
InChIInChI=1S/C15H28OSi/c1-15(2,3)17(4,5)16-14-10-9-12-7-6-8-13(12)11-14/h6-7,12-14H,8-11H2,1-5H3
InChIKeyHXHGDCUJUUSBCK-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.75
Rot. Bonds2

About 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane

3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane (PubChem CID 58666124) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane
PubChem CID58666124
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2C=CCC2C1
InChIInChI=1S/C15H28OSi/c1-15(2,3)17(4,5)16-14-10-9-12-7-6-8-13(12)11-14/h6-7,12-14H,8-11H2,1-5H3
InChIKeyHXHGDCUJUUSBCK-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.75
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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Launch Full Analysis

Related Compounds

[(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane
CID 139250257
tri(propan-2-yl)-[[7-tri(propan-2-yl)silyloxy-3a,4,5,6,7,7a-hexahydro-1H-inden-4-yl]oxy]silane
CID 58666146
tri(propan-2-yl)-[[1-tri(propan-2-yl)silyloxy-3a,4,5,6,7,7a-hexahydro-3H-inden-4-yl]oxy]silane
CID 58666152
3a,4,5,6,7,7a-hexahydro-1H-inden-2-yloxy-tert-butyl-dimethylsilane
CID 60078297
3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane
CID 70880476
[(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-dimethyl-[(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-4-yl)oxy]silane
CID 140476936
bis[5-[tert-butyl(dimethyl)silyl]oxy-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-dimethylsilane
CID 140476937
tert-butyl-dimethyl-[(2-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-4-yl)oxy]silane
CID 140476942
3a,4,5,6,7,7a-hexahydro-1H-inden-4-yloxy-tert-butyl-dimethylsilane
CID 140476946
hex-5-enyl-[(2-methyl-3a,4,5,6,7,7a-hexahydro-3H-inden-4-yl)oxy]-di(propan-2-yl)silane
CID 140476951
3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy-tert-butyl-dimethylsilane
CID 140476954

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane (CID 58666124) is 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCC2C=CCC2C1.
What is the InChIKey of 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane?
The InChIKey is HXHGDCUJUUSBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-15(2,3)17(4,5)16-14-10-9-12-7-6-8-13(12)11-14/h6-7,12-14H,8-11H2,1-5H3.
What are the key properties of 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane?
3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 58666124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).