1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene

C13H27N2O3SSi- — CID 91802867

IUPAC1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene
SMILESCC(C)(C)[Si](C)(C)OCC1=C(NNS(=O)[O-])CCCC1
InChIInChI=1S/C13H28N2O3SSi/c1-13(2,3)20(4,5)18-10-11-8-6-7-9-12(11)14-15-19(16)17/h14-15H,6-10H2,1-5H3,(H,16,17)/p-1
InChIKeyGHQAIXSJXGXKSG-UHFFFAOYSA-M
MW319.52 g/mol
LogP2.72
Rot. Bonds6

About 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene

1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene (PubChem CID 91802867) has the molecular formula C13H27N2O3SSi- and a molecular weight of 319.52 g/mol. Its IUPAC name is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene.

Molecular Properties

Compound Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene
PubChem CID91802867
Molecular FormulaC13H27N2O3SSi-
Molecular Weight319.52 g/mol
Exact Mass319.15
IUPAC Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene
SMILESCC(C)(C)[Si](C)(C)OCC1=C(NNS(=O)[O-])CCCC1
InChIInChI=1S/C13H28N2O3SSi/c1-13(2,3)20(4,5)18-10-11-8-6-7-9-12(11)14-15-19(16)17/h14-15H,6-10H2,1-5H3,(H,16,17)/p-1
InChIKeyGHQAIXSJXGXKSG-UHFFFAOYSA-M
XLogP2.72
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
CID 15649271
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,3-trimethyl-4-(2-sulfinohydrazinyl)cyclohexa-1,4-diene
CID 90961507
tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide
CID 162121800
(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90089955
tert-butyl-dimethyl-(4,5,6,7-tetrahydro-1H-indol-3-ylmethoxy)silane
CID 100940214
methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate
CID 102010141
tert-butyl-dimethyl-(3H-pyrrol-5-ylmethoxy)silane
CID 59493931
N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide
CID 163216298
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(2-iodo-1,3-thiazol-4-yl)methoxy]-dimethylsilane
CID 53416358
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583

Frequently Asked Questions

What is the IUPAC name of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene?
The IUPAC name of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene (CID 91802867) is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene.
What is the SMILES notation for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene?
The canonical SMILES for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene is CC(C)(C)[Si](C)(C)OCC1=C(NNS(=O)[O-])CCCC1.
What is the InChIKey of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene?
The InChIKey is GHQAIXSJXGXKSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H28N2O3SSi/c1-13(2,3)20(4,5)18-10-11-8-6-7-9-12(11)14-15-19(16)17/h14-15H,6-10H2,1-5H3,(H,16,17)/p-1.
What are the key properties of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene?
1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene has a molecular weight of 319.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-sulfinatohydrazinyl)cyclohexene is sourced from PubChem (CID 91802867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).