2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane

C14H28OSi — CID 57324241

IUPAC2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC12CCCC1CCC2
InChIInChI=1S/C14H28OSi/c1-13(2,3)16(4,5)15-14-10-6-8-12(14)9-7-11-14/h12H,6-11H2,1-5H3
InChIKeyBPEAYYOGXDQCOG-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.73
Rot. Bonds2

About 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane

2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane (PubChem CID 57324241) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane
PubChem CID57324241
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC12CCCC1CCC2
InChIInChI=1S/C14H28OSi/c1-13(2,3)16(4,5)15-14-10-6-8-12(14)9-7-11-14/h12H,6-11H2,1-5H3
InChIKeyBPEAYYOGXDQCOG-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane (CID 57324241) is 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC12CCCC1CCC2.
What is the InChIKey of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane?
The InChIKey is BPEAYYOGXDQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-13(2,3)16(4,5)15-14-10-6-8-12(14)9-7-11-14/h12H,6-11H2,1-5H3.
What are the key properties of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane?
2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 57324241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).