[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate

C15H28O4Si — CID 164671476

IUPAC[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)18-11-12-9-7-8-10-13(12)19-14(16)17-4/h9,13H,7-8,10-11H2,1-6H3/t13-/m1/s1
InChIKeyZLPVYUACOPWONT-CYBMUJFWSA-N
MW300.47 g/mol
LogP4.27
Rot. Bonds4

About [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate

[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate (PubChem CID 164671476) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate
PubChem CID164671476
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)18-11-12-9-7-8-10-13(12)19-14(16)17-4/h9,13H,7-8,10-11H2,1-6H3/t13-/m1/s1
InChIKeyZLPVYUACOPWONT-CYBMUJFWSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane
CID 12002929
tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane
CID 58760686
[(1R,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate
CID 10318253
methyl (6S)-6-[2-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]ethyl]-2,6-dimethylcyclohexene-1-carboxylate
CID 99771675
cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
CID 167430541
(2-methoxycarbonyloxy-4-methylcyclooct-4-en-1-yl) methyl carbonate
CID 68740003
methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate
CID 67983384
tert-butyl 2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxocyclohexen-1-yl]acetate
CID 174013569
N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide
CID 85242696
cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate
CID 102010141
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazole-4-carboxylate
CID 168861760

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate?
The IUPAC name of [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate (CID 164671476) is [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate is COC(=O)O[C@@H]1CCCC=C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate?
The InChIKey is ZLPVYUACOPWONT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)18-11-12-9-7-8-10-13(12)19-14(16)17-4/h9,13H,7-8,10-11H2,1-6H3/t13-/m1/s1.
What are the key properties of [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate?
[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate has a molecular weight of 300.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 164671476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).