(7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one

C15H26O2Si — CID 10869233

IUPAC(7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCC2=CC(=O)C[C@@H]21
InChIInChI=1S/C15H26O2Si/c1-15(2,3)18(4,5)17-14-8-6-7-11-9-12(16)10-13(11)14/h9,13-14H,6-8,10H2,1-5H3/t13-,14-/m0/s1
InChIKeyOHQJZOVVMDNGKV-KBPBESRZSA-N
MW266.46 g/mol
LogP4.08
Rot. Bonds2

About (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one

(7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one (PubChem CID 10869233) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one.

Molecular Properties

Compound Name(7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one
PubChem CID10869233
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCC2=CC(=O)C[C@@H]21
InChIInChI=1S/C15H26O2Si/c1-15(2,3)18(4,5)17-14-8-6-7-11-9-12(16)10-13(11)14/h9,13-14H,6-8,10H2,1-5H3/t13-,14-/m0/s1
InChIKeyOHQJZOVVMDNGKV-KBPBESRZSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one?
The IUPAC name of (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one (CID 10869233) is (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one.
What is the SMILES notation for (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one?
The canonical SMILES for (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CCCC2=CC(=O)C[C@@H]21.
What is the InChIKey of (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one?
The InChIKey is OHQJZOVVMDNGKV-KBPBESRZSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-15(2,3)18(4,5)17-14-8-6-7-11-9-12(16)10-13(11)14/h9,13-14H,6-8,10H2,1-5H3/t13-,14-/m0/s1.
What are the key properties of (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one?
(7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one has a molecular weight of 266.46 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-1,4,5,6,7,7a-hexahydroinden-2-one is sourced from PubChem (CID 10869233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).