CID 21184907

C18H21NO3Si — CID 21184907

IUPAC—
SMILESCC(C)(C)Cc1ccccc1[Si]OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21NO3Si/c1-18(2,3)12-14-8-5-7-11-17(14)23-22-13-15-9-4-6-10-16(15)19(20)21/h4-11H,12-13H2,1-3H3
InChIKeyDPLGIQKVXGRSQG-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.64
Rot. Bonds6

About CID 21184907

CID 21184907 (PubChem CID 21184907) has the molecular formula C18H21NO3Si and a molecular weight of 327.46 g/mol.

Molecular Properties

Compound NameCID 21184907
PubChem CID21184907
Molecular FormulaC18H21NO3Si
Molecular Weight327.46 g/mol
Exact Mass327.13
IUPAC Name—
SMILESCC(C)(C)Cc1ccccc1[Si]OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21NO3Si/c1-18(2,3)12-14-8-5-7-11-17(14)23-22-13-15-9-4-6-10-16(15)19(20)21/h4-11H,12-13H2,1-3H3
InChIKeyDPLGIQKVXGRSQG-UHFFFAOYSA-N
XLogP3.64
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.64
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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Related Compounds

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CID 64572741
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
5-[(2-nitrophenyl)methoxy]-1H-pyrazole
CID 53348295
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
2-methyl-1-(2-nitrophenyl)pentan-2-amine
CID 65020088
1-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889
(2-nitrophenyl)methoxymethanamine
CID 175012109
(2-nitrophenyl)methyl sulfite
CID 89385987
(2-nitrophenyl)methyl carbamate
CID 21490181
1-[(2-nitrophenyl)methoxy]heptan-2-one
CID 70357345
(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745
methanol;(2-nitrophenyl)methanol
CID 70046885

Frequently Asked Questions

What is the IUPAC name of CID 21184907?
The IUPAC name of CID 21184907 (CID 21184907) is not available.
What is the SMILES notation for CID 21184907?
The canonical SMILES for CID 21184907 is CC(C)(C)Cc1ccccc1[Si]OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of CID 21184907?
The InChIKey is DPLGIQKVXGRSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3Si/c1-18(2,3)12-14-8-5-7-11-17(14)23-22-13-15-9-4-6-10-16(15)19(20)21/h4-11H,12-13H2,1-3H3.
What are the key properties of CID 21184907?
CID 21184907 has a molecular weight of 327.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21184907 is sourced from PubChem (CID 21184907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).