(6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane

C15H30OSi — CID 67626281

IUPAC(6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC12CCCC1CCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-14(2,3)17(5,6)16-13-10-9-12-8-7-11-15(12,13)4/h12-13H,7-11H2,1-6H3
InChIKeyNCZDVYDYLSGUAS-UHFFFAOYSA-N
MW254.49 g/mol
LogP4.98
Rot. Bonds2

About (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane

(6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 67626281) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID67626281
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name(6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC12CCCC1CCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-14(2,3)17(5,6)16-13-10-9-12-8-7-11-15(12,13)4/h12-13H,7-11H2,1-6H3
InChIKeyNCZDVYDYLSGUAS-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'}

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Frequently Asked Questions

What is the IUPAC name of (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane (CID 67626281) is (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane is CC12CCCC1CCC2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is NCZDVYDYLSGUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-14(2,3)17(5,6)16-13-10-9-12-8-7-11-15(12,13)4/h12-13H,7-11H2,1-6H3.
What are the key properties of (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane?
(6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-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 (6a-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 67626281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).