(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane

C17H32OSi — CID 75218881

IUPAC(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1=CCCC2C(O[Si](C)(C)C(C)(C)C)CCC12C
InChIInChI=1S/C17H32OSi/c1-13-9-8-10-14-15(11-12-17(13,14)5)18-19(6,7)16(2,3)4/h9,14-15H,8,10-12H2,1-7H3
InChIKeyCPMVULPUOPUQRG-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.53
Rot. Bonds2

About (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane

(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 75218881) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID75218881
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1=CCCC2C(O[Si](C)(C)C(C)(C)C)CCC12C
InChIInChI=1S/C17H32OSi/c1-13-9-8-10-14-15(11-12-17(13,14)5)18-19(6,7)16(2,3)4/h9,14-15H,8,10-12H2,1-7H3
InChIKeyCPMVULPUOPUQRG-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.53
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'}

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Frequently Asked Questions

What is the IUPAC name of (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane (CID 75218881) is (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane is CC1=CCCC2C(O[Si](C)(C)C(C)(C)C)CCC12C.
What is the InChIKey of (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is CPMVULPUOPUQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-13-9-8-10-14-15(11-12-17(13,14)5)18-19(6,7)16(2,3)4/h9,14-15H,8,10-12H2,1-7H3.
What are the key properties of (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane?
(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 75218881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).