[(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane

C19H32O2Si — CID 132938706

IUPAC[(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC#CCO[C@@H]1C=C2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)CC1
InChIInChI=1S/C19H32O2Si/c1-8-13-20-16-11-12-19(5)15(14-16)9-10-17(19)21-22(6,7)18(2,3)4/h1,14,16-17H,9-13H2,2-7H3/t16-,17+,19+/m0/s1
InChIKeyXGBUCJKJJHJTHS-YQVWRLOYSA-N
MW320.55 g/mol
LogP4.92
Rot. Bonds4

About [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane

[(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 132938706) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID132938706
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name[(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC#CCO[C@@H]1C=C2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)CC1
InChIInChI=1S/C19H32O2Si/c1-8-13-20-16-11-12-19(5)15(14-16)9-10-17(19)21-22(6,7)18(2,3)4/h1,14,16-17H,9-13H2,2-7H3/t16-,17+,19+/m0/s1
InChIKeyXGBUCJKJJHJTHS-YQVWRLOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,5S,7aS)-7a-methyl-5-(tributylstannylmethoxy)-1,2,3,5,6,7-hexahydroinden-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 134880485
[(1S,5S,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,5,6,7-hexahydroinden-5-yl]oxy-(bromomethyl)-dimethylsilane
CID 135049518
Tert-butyl-[[8-[tert-butyl(dimethyl)silyl]oxy-3-oxabicyclo[9.2.2]pentadec-1(13)-en-5,9-diyn-11-yl]oxy]-dimethylsilane
CID 11812563
[(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane
CID 71475277
3-[[(1E,5S,7aR)-7a-methyl-1-(2-trimethylsilylethylidene)-3,5,6,7-tetrahydro-2H-inden-5-yl]oxy]prop-1-ynyl-trimethylsilane
CID 71475278

Frequently Asked Questions

What is the IUPAC name of [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane (CID 132938706) is [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane is C#CCO[C@@H]1C=C2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)CC1.
What is the InChIKey of [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XGBUCJKJJHJTHS-YQVWRLOYSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-8-13-20-16-11-12-19(5)15(14-16)9-10-17(19)21-22(6,7)18(2,3)4/h1,14,16-17H,9-13H2,2-7H3/t16-,17+,19+/m0/s1.
What are the key properties of [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 320.55 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 132938706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).