1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane

C14H28OSi — CID 142657121

IUPAC1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2CCCC21
InChIInChI=1S/C14H28OSi/c1-14(2,3)16(4,5)15-13-10-9-11-7-6-8-12(11)13/h11-13H,6-10H2,1-5H3
InChIKeyACTUUYMEARCCMC-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.59
Rot. Bonds2

About 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane

1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane (PubChem CID 142657121) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane
PubChem CID142657121
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2CCCC21
InChIInChI=1S/C14H28OSi/c1-14(2,3)16(4,5)15-13-10-9-11-7-6-8-12(11)13/h11-13H,6-10H2,1-5H3
InChIKeyACTUUYMEARCCMC-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.59
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

CID 134858996
CID 134858996
[(1R,3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 134905693
[(2R,3aR,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 134905694
1,2,3,3a,4,5,6,6a-Octahydropentalen-2-yloxy-tert-butyl-dimethylsilane
CID 19102121
2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane
CID 57324241
Tert-butyl-dimethyl-(2,3,4-trimethylcyclopentyl)oxysilane
CID 59121115
2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane
CID 67626280
(6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane
CID 67626281
2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-butyl-dimethylsilane
CID 68116108
[(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane
CID 71000984
Triethyl-(2,3,5-trimethylcyclopentyl)oxysilane
CID 145752837
Tert-butyl-(2,3-dimethylcyclopentyl)oxy-dimethylsilane
CID 145752859

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane (CID 142657121) is 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCC2CCCC21.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane?
The InChIKey is ACTUUYMEARCCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-14(2,3)16(4,5)15-13-10-9-11-7-6-8-12(11)13/h11-13H,6-10H2,1-5H3.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane?
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 142657121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).