tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane

C18H28FNO4Si — CID 67385067

IUPACtert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(Oc2cc(F)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C18H28FNO4Si/c1-18(2,3)25(4,5)24-15-8-6-7-14(12-15)23-17-11-13(19)9-10-16(17)20(21)22/h9-11,14-15H,6-8,12H2,1-5H3
InChIKeyMPFORPDANFHPFH-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.45
Rot. Bonds5

About tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane

tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane (PubChem CID 67385067) has the molecular formula C18H28FNO4Si and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
PubChem CID67385067
Molecular FormulaC18H28FNO4Si
Molecular Weight369.51 g/mol
Exact Mass369.18
IUPAC Nametert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(Oc2cc(F)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C18H28FNO4Si/c1-18(2,3)25(4,5)24-15-8-6-7-14(12-15)23-17-11-13(19)9-10-16(17)20(21)22/h9-11,14-15H,6-8,12H2,1-5H3
InChIKeyMPFORPDANFHPFH-UHFFFAOYSA-N
XLogP5.45
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.45
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

tert-butyl-[(1S,3R)-3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
CID 58421666
1-[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(5-fluoro-2-nitrophenoxy)pyrrolidin-1-yl]ethanone
CID 140791686
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
CID 58421665
4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160
(3S,5S)-3-(5-fluoro-2-nitrophenoxy)-5-methyloxolan-2-one
CID 51923988
4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
CID 71757600
(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane (CID 67385067) is tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCCC(Oc2cc(F)ccc2[N+](=O)[O-])C1.
What is the InChIKey of tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane?
The InChIKey is MPFORPDANFHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO4Si/c1-18(2,3)25(4,5)24-15-8-6-7-14(12-15)23-17-11-13(19)9-10-16(17)20(21)22/h9-11,14-15H,6-8,12H2,1-5H3.
What are the key properties of tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane?
tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane has a molecular weight of 369.51 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 67385067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).