CID 150407142

C9H10NO4Si — CID 150407142

IUPAC—
SMILESCOc1cc([N+](=O)[O-])c(CO[Si])cc1C
InChIInChI=1S/C9H10NO4Si/c1-6-3-7(5-14-15)8(10(11)12)4-9(6)13-2/h3-4H,5H2,1-2H3
InChIKeyUHFKFUXQCGDHNL-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.51
Rot. Bonds4

About CID 150407142

CID 150407142 (PubChem CID 150407142) has the molecular formula C9H10NO4Si and a molecular weight of 224.27 g/mol.

Molecular Properties

Compound NameCID 150407142
PubChem CID150407142
Molecular FormulaC9H10NO4Si
Molecular Weight224.27 g/mol
Exact Mass224.04
IUPAC Name—
SMILESCOc1cc([N+](=O)[O-])c(CO[Si])cc1C
InChIInChI=1S/C9H10NO4Si/c1-6-3-7(5-14-15)8(10(11)12)4-9(6)13-2/h3-4H,5H2,1-2H3
InChIKeyUHFKFUXQCGDHNL-UHFFFAOYSA-N
XLogP1.51
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
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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Related Compounds

(5-methoxy-4-methyl-2-nitrophenyl)methyl propanoate
CID 59710826
sodium (4,5-dimethoxy-2-nitrophenyl)methoxymethanone
CID 155726894
1,2-dimethyl-4-nitro-5-(2,2,2-trifluoroethoxymethyl)benzene
CID 155581608
(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
CID 163219715
(4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane
CID 14108631
(4,5-dimethoxy-2-nitrophenyl)methyl carbamoperoxoate
CID 155576632
bis((4,5-dimethoxy-2-nitrophenyl)methyl propanoate);methane
CID 160819658
2-(5-chloro-4-methoxy-2-nitrophenyl)acetic acid
CID 171003063
(5-methoxy-4-methyl-2-nitrophenyl)methyl di(propan-2-yl)carbamoyloxymethanesulfonate
CID 170247191
3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-3-methylbutan-2-one
CID 59707797
(4,5-dimethoxy-2-nitrophenyl)methyl N-methylcarbamate;ethane
CID 170600738
1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene
CID 57346293

Frequently Asked Questions

What is the IUPAC name of CID 150407142?
The IUPAC name of CID 150407142 (CID 150407142) is not available.
What is the SMILES notation for CID 150407142?
The canonical SMILES for CID 150407142 is COc1cc([N+](=O)[O-])c(CO[Si])cc1C.
What is the InChIKey of CID 150407142?
The InChIKey is UHFKFUXQCGDHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO4Si/c1-6-3-7(5-14-15)8(10(11)12)4-9(6)13-2/h3-4H,5H2,1-2H3.
What are the key properties of CID 150407142?
CID 150407142 has a molecular weight of 224.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150407142 is sourced from PubChem (CID 150407142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).