6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate

C15H30O4Si — CID 101426672

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate
SMILESC=CC(CCCO[Si](C)(C)C(C)(C)C)OC(=O)OCC
InChIInChI=1S/C15H30O4Si/c1-8-13(19-14(16)17-9-2)11-10-12-18-20(6,7)15(3,4)5/h8,13H,1,9-12H2,2-7H3
InChIKeyAUNXYNXVAGUELW-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.52
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate

6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate (PubChem CID 101426672) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate
PubChem CID101426672
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate
SMILESC=CC(CCCO[Si](C)(C)C(C)(C)C)OC(=O)OCC
InChIInChI=1S/C15H30O4Si/c1-8-13(19-14(16)17-9-2)11-10-12-18-20(6,7)15(3,4)5/h8,13H,1,9-12H2,2-7H3
InChIKeyAUNXYNXVAGUELW-UHFFFAOYSA-N
XLogP4.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate (CID 101426672) is 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate is C=CC(CCCO[Si](C)(C)C(C)(C)C)OC(=O)OCC.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate?
The InChIKey is AUNXYNXVAGUELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-8-13(19-14(16)17-9-2)11-10-12-18-20(6,7)15(3,4)5/h8,13H,1,9-12H2,2-7H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate?
6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate has a molecular weight of 302.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate is sourced from PubChem (CID 101426672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).