1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol

C17H26F2O2Si — CID 67811798

IUPAC1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol
SMILESCC(C)(C)[Si](C)(C)OC1CCc2c1cccc2C(O)C(F)F
InChIInChI=1S/C17H26F2O2Si/c1-17(2,3)22(4,5)21-14-10-9-11-12(14)7-6-8-13(11)15(20)16(18)19/h6-8,14-16,20H,9-10H2,1-5H3
InChIKeyASEMJRRBRAFIET-UHFFFAOYSA-N
MW328.47 g/mol
LogP4.99
Rot. Bonds4

About 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol

1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol (PubChem CID 67811798) has the molecular formula C17H26F2O2Si and a molecular weight of 328.47 g/mol. Its IUPAC name is 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol.

Molecular Properties

Compound Name1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol
PubChem CID67811798
Molecular FormulaC17H26F2O2Si
Molecular Weight328.47 g/mol
Exact Mass328.17
IUPAC Name1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol
SMILESCC(C)(C)[Si](C)(C)OC1CCc2c1cccc2C(O)C(F)F
InChIInChI=1S/C17H26F2O2Si/c1-17(2,3)22(4,5)21-14-10-9-11-12(14)7-6-8-13(11)15(20)16(18)19/h6-8,14-16,20H,9-10H2,1-5H3
InChIKeyASEMJRRBRAFIET-UHFFFAOYSA-N
XLogP4.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
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 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol?
The IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol (CID 67811798) is 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol.
What is the SMILES notation for 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol?
The canonical SMILES for 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol is CC(C)(C)[Si](C)(C)OC1CCc2c1cccc2C(O)C(F)F.
What is the InChIKey of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol?
The InChIKey is ASEMJRRBRAFIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2O2Si/c1-17(2,3)22(4,5)21-14-10-9-11-12(14)7-6-8-13(11)15(20)16(18)19/h6-8,14-16,20H,9-10H2,1-5H3.
What are the key properties of 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol?
1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol has a molecular weight of 328.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2-difluoroethanol is sourced from PubChem (CID 67811798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).