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

C16H28O4Si — CID 101255690

IUPAC[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate
SMILESC=COC(=O)O[C@@H]1CCCC=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/t14-/m1/s1
InChIKeyBASFDOPUQFBEBP-CQSZACIVSA-N
MW312.48 g/mol
LogP4.78
Rot. Bonds5

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

[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate (PubChem CID 101255690) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate.

Molecular Properties

Compound Name[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate
PubChem CID101255690
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate
SMILESC=COC(=O)O[C@@H]1CCCC=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/t14-/m1/s1
InChIKeyBASFDOPUQFBEBP-CQSZACIVSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate?
The IUPAC name of [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate (CID 101255690) is [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate.
What is the SMILES notation for [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate?
The canonical SMILES for [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate is C=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] ethenyl carbonate?
The InChIKey is BASFDOPUQFBEBP-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate?
[(1R)-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 [(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] ethenyl carbonate is sourced from PubChem (CID 101255690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).