[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate

C14H28O4Si — CID 24754552

IUPAC[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(5,6)18-12-10-8-7-9-11-17-13(15)16-4/h7,9H,8,10-12H2,1-6H3/b9-7-
InChIKeyZXGYQXMKKDFALM-CLFYSBASSA-N
MW288.46 g/mol
LogP4.13
Rot. Bonds7

About [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate

[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate (PubChem CID 24754552) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate
PubChem CID24754552
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(5,6)18-12-10-8-7-9-11-17-13(15)16-4/h7,9H,8,10-12H2,1-6H3/b9-7-
InChIKeyZXGYQXMKKDFALM-CLFYSBASSA-N
XLogP4.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.13
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 [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate?
The IUPAC name of [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate (CID 24754552) is [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate.
What is the SMILES notation for [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate?
The canonical SMILES for [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate is COC(=O)OC/C=C\CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate?
The InChIKey is ZXGYQXMKKDFALM-CLFYSBASSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-14(2,3)19(5,6)18-12-10-8-7-9-11-17-13(15)16-4/h7,9H,8,10-12H2,1-6H3/b9-7-.
What are the key properties of [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate?
[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate has a molecular weight of 288.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate is sourced from PubChem (CID 24754552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).