4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium

C16H26NO8RfSi- — CID 89253843

IUPAC4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium
SMILES[CH2-]Oc1ccc(COCCCC[Si](OC)(OC)OC)c([N+](=O)[O-])c1OC.[Rf]
InChIInChI=1S/C16H26NO8Si.Rf/c1-20-14-9-8-13(15(17(18)19)16(14)21-2)12-25-10-6-7-11-26(22-3,23-4)24-5;/h8-9H,1,6-7,10-12H2,2-5H3;/q-1;
InChIKeyKUTRCGCNVAQAHB-UHFFFAOYSA-N
MW655.47 g/mol
LogP2.95
Rot. Bonds13

About 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium

4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium (PubChem CID 89253843) has the molecular formula C16H26NO8RfSi- and a molecular weight of 655.47 g/mol. Its IUPAC name is 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium.

Molecular Properties

Compound Name4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium
PubChem CID89253843
Molecular FormulaC16H26NO8RfSi-
Molecular Weight655.47 g/mol
Exact Mass655.26
IUPAC Name4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium
SMILES[CH2-]Oc1ccc(COCCCC[Si](OC)(OC)OC)c([N+](=O)[O-])c1OC.[Rf]
InChIInChI=1S/C16H26NO8Si.Rf/c1-20-14-9-8-13(15(17(18)19)16(14)21-2)12-25-10-6-7-11-26(22-3,23-4)24-5;/h8-9H,1,6-7,10-12H2,2-5H3;/q-1;
InChIKeyKUTRCGCNVAQAHB-UHFFFAOYSA-N
XLogP2.95
TPSA98.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

4-[(3,4-dimethoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane
CID 89253844
N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline;rutherfordium
CID 89253894
4-[(4-ethoxy-2,3,5-trimethoxy-6-nitrophenyl)methoxy]butyl-trimethoxysilane
CID 58722769
N-ethyl-2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)aniline
CID 58722749
[2-methoxy-5-nitro-4-(4-trimethoxysilylbutoxymethyl)anilino]methanone;rutherfordium
CID 89253867
4-[(4-ethoxy-2,3-dimethoxy-6-nitrophenyl)methoxy]butyl-trimethoxysilane
CID 58722747
2-(3,4-dimethoxy-2-nitrophenyl)acetic acid
CID 68912474
trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
tris(4-hexadecoxyphenyl)-[(3,4,5-trimethoxy-2-nitrophenyl)methoxy]silane
CID 22342079
N-[(3-methoxy-2-nitro-4-phenylmethoxyphenyl)methyl]methanimine
CID 129194478
1-bromo-3,4-dimethoxy-2-nitrobenzene
CID 66522885
trimethoxy-[3-(4-nitrophenoxy)propyl]silane
CID 70700788

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium?
The IUPAC name of 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium (CID 89253843) is 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium.
What is the SMILES notation for 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium?
The canonical SMILES for 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium is [CH2-]Oc1ccc(COCCCC[Si](OC)(OC)OC)c([N+](=O)[O-])c1OC.[Rf].
What is the InChIKey of 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium?
The InChIKey is KUTRCGCNVAQAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26NO8Si.Rf/c1-20-14-9-8-13(15(17(18)19)16(14)21-2)12-25-10-6-7-11-26(22-3,23-4)24-5;/h8-9H,1,6-7,10-12H2,2-5H3;/q-1;.
What are the key properties of 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium?
4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium has a molecular weight of 655.47 g/mol, XLogP of 2.95, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methanidyloxy-3-methoxy-2-nitrophenyl)methoxy]butyl-trimethoxysilane;rutherfordium is sourced from PubChem (CID 89253843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).