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

C16H28O4Si — CID 11381411

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate
SMILESC=COC(=O)OC1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O4Si/c1-7-18-15(17)20-14-11-9-8-10-13(14)12-19-21(5,6)16(2,3)4/h7,10,14H,1,8-9,11-12H2,2-6H3
InChIKeyBASFDOPUQFBEBP-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.78
Rot. Bonds5

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

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate (PubChem CID 11381411) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate
PubChem CID11381411
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate
SMILESC=COC(=O)OC1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O4Si/c1-7-18-15(17)20-14-11-9-8-10-13(14)12-19-21(5,6)16(2,3)4/h7,10,14H,1,8-9,11-12H2,2-6H3
InChIKeyBASFDOPUQFBEBP-UHFFFAOYSA-N
XLogP4.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-[(E)-but-1-enyl]-5-methyl-3,4-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134870724
2-(Triisopropylsiloxy)methylcyclohex-2-en-1-yl ethenyl carbonate
CID 139252787
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] 2,2,2-trichloroethyl carbonate
CID 139252806
2,2,2-Trichloroethyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate
CID 139252808
[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate
CID 164671476
ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate
CID 11616870
Methyl [2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate
CID 13717356
[(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate
CID 99772754
[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate
CID 99772755
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate
CID 101153909
[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate
CID 101255690
[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate
CID 101255691

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate (CID 11381411) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate is C=COC(=O)OC1CCCC=C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate?
The InChIKey is BASFDOPUQFBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-7-18-15(17)20-14-11-9-8-10-13(14)12-19-21(5,6)16(2,3)4/h7,10,14H,1,8-9,11-12H2,2-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate has a molecular weight of 312.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate is sourced from PubChem (CID 11381411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).