tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane

C17H27NO3Si — CID 23377906

IUPACtert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CCc2cc([N+](=O)[O-])ccc2C1
InChIInChI=1S/C17H27NO3Si/c1-17(2,3)22(4,5)21-12-13-6-7-15-11-16(18(19)20)9-8-14(15)10-13/h8-9,11,13H,6-7,10,12H2,1-5H3
InChIKeyUHDCIZXYZRVJBX-UHFFFAOYSA-N
MW321.49 g/mol
LogP4.72
Rot. Bonds4

About tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane

tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane (PubChem CID 23377906) has the molecular formula C17H27NO3Si and a molecular weight of 321.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane
PubChem CID23377906
Molecular FormulaC17H27NO3Si
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Nametert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CCc2cc([N+](=O)[O-])ccc2C1
InChIInChI=1S/C17H27NO3Si/c1-17(2,3)22(4,5)21-12-13-6-7-15-11-16(18(19)20)9-8-14(15)10-13/h8-9,11,13H,6-7,10,12H2,1-5H3
InChIKeyUHDCIZXYZRVJBX-UHFFFAOYSA-N
XLogP4.72
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane (CID 23377906) is tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane is CC(C)(C)[Si](C)(C)OCC1CCc2cc([N+](=O)[O-])ccc2C1.
What is the InChIKey of tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane?
The InChIKey is UHDCIZXYZRVJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3Si/c1-17(2,3)22(4,5)21-12-13-6-7-15-11-16(18(19)20)9-8-14(15)10-13/h8-9,11,13H,6-7,10,12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane?
tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane has a molecular weight of 321.49 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane is sourced from PubChem (CID 23377906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).