[1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane

C14H22ClNO3Si — CID 22021350

IUPAC[1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(C[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO3Si/c1-4-20(5-2,6-3)19-14(11-16(17)18)12-8-7-9-13(15)10-12/h7-10,14H,4-6,11H2,1-3H3
InChIKeyKSBZFAQREVCNIH-UHFFFAOYSA-N
MW315.87 g/mol
LogP4.68
Rot. Bonds8

About [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane

[1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane (PubChem CID 22021350) has the molecular formula C14H22ClNO3Si and a molecular weight of 315.87 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane
PubChem CID22021350
Molecular FormulaC14H22ClNO3Si
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name[1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(C[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO3Si/c1-4-20(5-2,6-3)19-14(11-16(17)18)12-8-7-9-13(15)10-12/h7-10,14H,4-6,11H2,1-3H3
InChIKeyKSBZFAQREVCNIH-UHFFFAOYSA-N
XLogP4.68
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 54.68
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

1-chloro-3-[(2R,3S)-3-nitrobutan-2-yl]benzene
CID 101125735
1-[(1R)-1-(3-chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole
CID 698172
(2S,3R)-3-(3-chlorophenyl)-1-[dimethyl(phenyl)silyl]-4-nitro-2-phenylbutan-1-one
CID 71546621
ethyl 3-(3-chlorophenyl)-4-nitrobutanoate;ethyl (E)-3-(3-chlorophenyl)prop-2-enoate
CID 169425351
[1-(4-chlorophenyl)-2-nitroethyl] nitrate
CID 10562404
1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064647
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
1-chloro-3-(2-iodo-1-propan-2-yloxyethyl)benzene
CID 114772102
(3S)-3-phenyl-3-triethylsilyloxypropanal
CID 10923425
4-[(1R)-1-(3-chlorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 1189539
propan-2-yl (2S,3R)-2-(3-chlorobenzoyl)-2-fluoro-4-nitro-3-phenylbutanoate
CID 101474420
3-bromo-N-[1-(3-chlorophenyl)propyl]-4-nitroaniline
CID 82863384

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane?
The IUPAC name of [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane (CID 22021350) is [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane.
What is the SMILES notation for [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane?
The canonical SMILES for [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane is CC[Si](CC)(CC)OC(C[N+](=O)[O-])c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane?
The InChIKey is KSBZFAQREVCNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3Si/c1-4-20(5-2,6-3)19-14(11-16(17)18)12-8-7-9-13(15)10-12/h7-10,14H,4-6,11H2,1-3H3.
What are the key properties of [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane?
[1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane has a molecular weight of 315.87 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-2-nitroethoxy]-triethylsilane is sourced from PubChem (CID 22021350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).