tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane

C14H27NO3Si — CID 175866159

IUPACtert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC1CC=C([N+](=O)[O-])CC1
InChIInChI=1S/C14H27NO3Si/c1-14(2,3)19(4,5)18-11-10-12-6-8-13(9-7-12)15(16)17/h8,12H,6-7,9-11H2,1-5H3
InChIKeyQUOMDMLLVZSJRY-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.36
Rot. Bonds5

About tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane

tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane (PubChem CID 175866159) has the molecular formula C14H27NO3Si and a molecular weight of 285.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane
PubChem CID175866159
Molecular FormulaC14H27NO3Si
Molecular Weight285.46 g/mol
Exact Mass285.18
IUPAC Nametert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC1CC=C([N+](=O)[O-])CC1
InChIInChI=1S/C14H27NO3Si/c1-14(2,3)19(4,5)18-11-10-12-6-8-13(9-7-12)15(16)17/h8,12H,6-7,9-11H2,1-5H3
InChIKeyQUOMDMLLVZSJRY-UHFFFAOYSA-N
XLogP4.36
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.36
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

tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane
CID 176705511
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
tert-butyl-dimethyl-[(6-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy]silane
CID 23377906
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine
CID 168827188
tert-butyl-dimethyl-[3-(5-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl)propoxy]silane
CID 139700392
[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] methanesulfonate
CID 89190254
S-[(2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl] 4-nitrobenzenecarbothioate
CID 173407322
(4S,5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylspiro[4.4]nonan-2-one
CID 11088211
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate
CID 58812433

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane (CID 175866159) is tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane is CC(C)(C)[Si](C)(C)OCCC1CC=C([N+](=O)[O-])CC1.
What is the InChIKey of tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane?
The InChIKey is QUOMDMLLVZSJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3Si/c1-14(2,3)19(4,5)18-11-10-12-6-8-13(9-7-12)15(16)17/h8,12H,6-7,9-11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane?
tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane has a molecular weight of 285.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane is sourced from PubChem (CID 175866159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).