[(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate

C17H30O4Si — CID 99772754

IUPAC[(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C[C@H](O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C17H30O4Si/c1-7-12-19-16(18)20-14-10-8-9-11-15(13-14)21-22(5,6)17(2,3)4/h7,13,15H,1,8-12H2,2-6H3/t15-/m1/s1
InChIKeyHAUNCUYSJIFFDH-OAHLLOKOSA-N
MW326.51 g/mol
LogP5.17
Rot. Bonds5

About [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate

[(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate (PubChem CID 99772754) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate
PubChem CID99772754
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C[C@H](O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C17H30O4Si/c1-7-12-19-16(18)20-14-10-8-9-11-15(13-14)21-22(5,6)17(2,3)4/h7,13,15H,1,8-12H2,2-6H3/t15-/m1/s1
InChIKeyHAUNCUYSJIFFDH-OAHLLOKOSA-N
XLogP5.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate?
The IUPAC name of [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate (CID 99772754) is [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate.
What is the SMILES notation for [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate?
The canonical SMILES for [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate is C=CCOC(=O)OC1=C[C@H](O[Si](C)(C)C(C)(C)C)CCCC1.
What is the InChIKey of [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate?
The InChIKey is HAUNCUYSJIFFDH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-12-19-16(18)20-14-10-8-9-11-15(13-14)21-22(5,6)17(2,3)4/h7,13,15H,1,8-12H2,2-6H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate?
[(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate has a molecular weight of 326.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate is sourced from PubChem (CID 99772754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).