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

C15H30OSi — CID 67626280

IUPAC2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC12CCCC1CCC2
InChIInChI=1S/C15H30OSi/c1-14(2,3)17(4,5)16-12-15-10-6-8-13(15)9-7-11-15/h13H,6-12H2,1-5H3
InChIKeyMZOWZUXOWDBOIZ-UHFFFAOYSA-N
MW254.49 g/mol
LogP4.98
Rot. Bonds3

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

2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane (PubChem CID 67626280) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane
PubChem CID67626280
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC12CCCC1CCC2
InChIInChI=1S/C15H30OSi/c1-14(2,3)17(4,5)16-12-15-10-6-8-13(15)9-7-11-15/h13H,6-12H2,1-5H3
InChIKeyMZOWZUXOWDBOIZ-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

Analyze 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane (CID 67626280) is 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC12CCCC1CCC2.
What is the InChIKey of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane?
The InChIKey is MZOWZUXOWDBOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-14(2,3)17(4,5)16-12-15-10-6-8-13(15)9-7-11-15/h13H,6-12H2,1-5H3.
What are the key properties of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane?
2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ylmethoxy-tert-butyl-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 4.98, 3 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-ylmethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 67626280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).