[(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

C17H30OSi — CID 101219353

IUPAC[(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)C=C(O[Si](C)(C)C(C)(C)C)[C@@H]2C=CC[C@@H]2C1
InChIInChI=1S/C17H30OSi/c1-16(2,3)19(6,7)18-15-12-17(4,5)11-13-9-8-10-14(13)15/h8,10,12-14H,9,11H2,1-7H3/t13-,14-/m1/s1
InChIKeyPHWAPFMTOBPQOG-ZIAGYGMSSA-N
MW278.51 g/mol
LogP5.51
Rot. Bonds2

About [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

[(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101219353) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101219353
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)C=C(O[Si](C)(C)C(C)(C)C)[C@@H]2C=CC[C@@H]2C1
InChIInChI=1S/C17H30OSi/c1-16(2,3)19(6,7)18-15-12-17(4,5)11-13-9-8-10-14(13)15/h8,10,12-14H,9,11H2,1-7H3/t13-,14-/m1/s1
InChIKeyPHWAPFMTOBPQOG-ZIAGYGMSSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.51
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'}

Analyze [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 101219353) is [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is CC1(C)C=C(O[Si](C)(C)C(C)(C)C)[C@@H]2C=CC[C@@H]2C1.
What is the InChIKey of [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is PHWAPFMTOBPQOG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H30OSi/c1-16(2,3)19(6,7)18-15-12-17(4,5)11-13-9-8-10-14(13)15/h8,10,12-14H,9,11H2,1-7H3/t13-,14-/m1/s1.
What are the key properties of [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101219353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).