(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol

C14H23NO4Si — CID 11335479

IUPAC(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@@H](O)C[N+](=O)[O-])cc1
InChIInChI=1S/C14H23NO4Si/c1-14(2,3)20(4,5)19-12-8-6-11(7-9-12)13(16)10-15(17)18/h6-9,13,16H,10H2,1-5H3/t13-/m0/s1
InChIKeyAPVXHHHJAORJNB-ZDUSSCGKSA-N
MW297.43 g/mol
LogP3.38
Rot. Bonds5

About (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol

(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol (PubChem CID 11335479) has the molecular formula C14H23NO4Si and a molecular weight of 297.43 g/mol. Its IUPAC name is (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol.

Molecular Properties

Compound Name(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol
PubChem CID11335479
Molecular FormulaC14H23NO4Si
Molecular Weight297.43 g/mol
Exact Mass297.14
IUPAC Name(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@@H](O)C[N+](=O)[O-])cc1
InChIInChI=1S/C14H23NO4Si/c1-14(2,3)20(4,5)19-12-8-6-11(7-9-12)13(16)10-15(17)18/h6-9,13,16H,10H2,1-5H3/t13-/m0/s1
InChIKeyAPVXHHHJAORJNB-ZDUSSCGKSA-N
XLogP3.38
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol?
The IUPAC name of (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol (CID 11335479) is (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol.
What is the SMILES notation for (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol?
The canonical SMILES for (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol is CC(C)(C)[Si](C)(C)Oc1ccc([C@@H](O)C[N+](=O)[O-])cc1.
What is the InChIKey of (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol?
The InChIKey is APVXHHHJAORJNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO4Si/c1-14(2,3)20(4,5)19-12-8-6-11(7-9-12)13(16)10-15(17)18/h6-9,13,16H,10H2,1-5H3/t13-/m0/s1.
What are the key properties of (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol?
(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol has a molecular weight of 297.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol is sourced from PubChem (CID 11335479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).