(1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol

C23H38O2Si — CID 10970803

IUPAC(1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC[C@]2(O)C[C@H](c3ccccc3)CC[C@]12C
InChIInChI=1S/C23H38O2Si/c1-21(2,3)26(5,6)25-17-20-13-15-23(24)16-19(12-14-22(20,23)4)18-10-8-7-9-11-18/h7-11,19-20,24H,12-17H2,1-6H3/t19-,20-,22-,23+/m1/s1
InChIKeyXRVYTZFEMPADFF-PRTQVNTJSA-N
MW374.64 g/mol
LogP6.12
Rot. Bonds4

About (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol

(1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol (PubChem CID 10970803) has the molecular formula C23H38O2Si and a molecular weight of 374.64 g/mol. Its IUPAC name is (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol.

Molecular Properties

Compound Name(1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
PubChem CID10970803
Molecular FormulaC23H38O2Si
Molecular Weight374.64 g/mol
Exact Mass374.26
IUPAC Name(1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC[C@]2(O)C[C@H](c3ccccc3)CC[C@]12C
InChIInChI=1S/C23H38O2Si/c1-21(2,3)26(5,6)25-17-20-13-15-23(24)16-19(12-14-22(20,23)4)18-10-8-7-9-11-18/h7-11,19-20,24H,12-17H2,1-6H3/t19-,20-,22-,23+/m1/s1
InChIKeyXRVYTZFEMPADFF-PRTQVNTJSA-N
XLogP6.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol?
The IUPAC name of (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol (CID 10970803) is (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol.
What is the SMILES notation for (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol?
The canonical SMILES for (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol is CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@]2(O)C[C@H](c3ccccc3)CC[C@]12C.
What is the InChIKey of (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol?
The InChIKey is XRVYTZFEMPADFF-PRTQVNTJSA-N. The full InChI is InChI=1S/C23H38O2Si/c1-21(2,3)26(5,6)25-17-20-13-15-23(24)16-19(12-14-22(20,23)4)18-10-8-7-9-11-18/h7-11,19-20,24H,12-17H2,1-6H3/t19-,20-,22-,23+/m1/s1.
What are the key properties of (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol?
(1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol has a molecular weight of 374.64 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,5R,7aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol is sourced from PubChem (CID 10970803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).