2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde

C15H23NO5Si — CID 58342218

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCOc1cc([N+](=O)[O-])ccc1C=O
InChIInChI=1S/C15H23NO5Si/c1-15(2,3)22(4,5)21-9-8-20-14-10-13(16(18)19)7-6-12(14)11-17/h6-7,10-11H,8-9H2,1-5H3
InChIKeyYRDAEHQQLONIST-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.81
Rot. Bonds7

About 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde

2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde (PubChem CID 58342218) has the molecular formula C15H23NO5Si and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
PubChem CID58342218
Molecular FormulaC15H23NO5Si
Molecular Weight325.44 g/mol
Exact Mass325.13
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCOc1cc([N+](=O)[O-])ccc1C=O
InChIInChI=1S/C15H23NO5Si/c1-15(2,3)22(4,5)21-9-8-20-14-10-13(16(18)19)7-6-12(14)11-17/h6-7,10-11H,8-9H2,1-5H3
InChIKeyYRDAEHQQLONIST-UHFFFAOYSA-N
XLogP3.81
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-formylbenzonitrile
CID 166136317
2-[5-[tert-butyl(dimethyl)silyl]oxypentylsulfanyl]-5-nitrobenzaldehyde
CID 10249406
3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-nitrobenzaldehyde
CID 22436279
2-methoxy-4-nitrobenzaldehyde
CID 2759599
(2-formyl-5-nitrophenyl) hypobromite
CID 174599532
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
4-(2-formyl-4-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 65252971
tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane
CID 169175784
2-(2-bromoethoxy)-5-nitrobenzaldehyde
CID 14050433
4-(2-formyl-4-nitrophenoxy)butanenitrile
CID 43471249
2-decoxy-5-nitrobenzaldehyde
CID 25058968

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde (CID 58342218) is 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde is CC(C)(C)[Si](C)(C)OCCOc1cc([N+](=O)[O-])ccc1C=O.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde?
The InChIKey is YRDAEHQQLONIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5Si/c1-15(2,3)22(4,5)21-9-8-20-14-10-13(16(18)19)7-6-12(14)11-17/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde?
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde has a molecular weight of 325.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde is sourced from PubChem (CID 58342218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).