diethyl-(3-nitrophenoxy)-undecoxysilane

C21H37NO4Si — CID 91743973

IUPACdiethyl-(3-nitrophenoxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H37NO4Si/c1-4-7-8-9-10-11-12-13-14-18-25-27(5-2,6-3)26-21-17-15-16-20(19-21)22(23)24/h15-17,19H,4-14,18H2,1-3H3
InChIKeyVZUQZOVTJTUVPC-UHFFFAOYSA-N
MW395.62 g/mol
LogP7.00
Rot. Bonds16

About diethyl-(3-nitrophenoxy)-undecoxysilane

diethyl-(3-nitrophenoxy)-undecoxysilane (PubChem CID 91743973) has the molecular formula C21H37NO4Si and a molecular weight of 395.62 g/mol. Its IUPAC name is diethyl-(3-nitrophenoxy)-undecoxysilane.

Molecular Properties

Compound Namediethyl-(3-nitrophenoxy)-undecoxysilane
PubChem CID91743973
Molecular FormulaC21H37NO4Si
Molecular Weight395.62 g/mol
Exact Mass395.25
IUPAC Namediethyl-(3-nitrophenoxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](CC)(CC)Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H37NO4Si/c1-4-7-8-9-10-11-12-13-14-18-25-27(5-2,6-3)26-21-17-15-16-20(19-21)22(23)24/h15-17,19H,4-14,18H2,1-3H3
InChIKeyVZUQZOVTJTUVPC-UHFFFAOYSA-N
XLogP7.00
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

1-nitro-3-octoxybenzene
CID 3442932
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
(3-nitrophenyl) 4-hexoxybenzoate
CID 23011425
5-O-(3-nitrophenyl) 1-O-tridecyl pentanedioate
CID 91707215
3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxybenzoic acid
CID 19091760
dodecoxy-diethyl-(4-methoxyphenoxy)silane
CID 91744611
ethyl 2-(3-nitrophenoxy)tetradecanoate
CID 14122414
(2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane
CID 91745109
3-(3-nitrophenoxy)-N,N-dipropylpropan-1-amine
CID 22012920
1-nitro-4-octadecoxybenzene
CID 4258205
(2R,3R)-2-[(3-nitrophenoxy)methyl]-3-octylthiirane
CID 10381548
4-O-decan-2-yl 1-O-(3-nitrophenyl) butanedioate
CID 91735776

Frequently Asked Questions

What is the IUPAC name of diethyl-(3-nitrophenoxy)-undecoxysilane?
The IUPAC name of diethyl-(3-nitrophenoxy)-undecoxysilane (CID 91743973) is diethyl-(3-nitrophenoxy)-undecoxysilane.
What is the SMILES notation for diethyl-(3-nitrophenoxy)-undecoxysilane?
The canonical SMILES for diethyl-(3-nitrophenoxy)-undecoxysilane is CCCCCCCCCCCO[Si](CC)(CC)Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of diethyl-(3-nitrophenoxy)-undecoxysilane?
The InChIKey is VZUQZOVTJTUVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO4Si/c1-4-7-8-9-10-11-12-13-14-18-25-27(5-2,6-3)26-21-17-15-16-20(19-21)22(23)24/h15-17,19H,4-14,18H2,1-3H3.
What are the key properties of diethyl-(3-nitrophenoxy)-undecoxysilane?
diethyl-(3-nitrophenoxy)-undecoxysilane has a molecular weight of 395.62 g/mol, XLogP of 7.00, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-nitrophenoxy)-undecoxysilane is sourced from PubChem (CID 91743973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).