[(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate

C16H32O5Si — CID 11544517

IUPAC[(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C/CC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-7-19-15(18)20-12-9-8-10-14(17)11-13-21-22(5,6)16(2,3)4/h8-9,14,17H,7,10-13H2,1-6H3/b9-8+
InChIKeyDAPHCNFSFYAGLH-CMDGGOBGSA-N
MW332.51 g/mol
LogP3.88
Rot. Bonds9

About [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate

[(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate (PubChem CID 11544517) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate
PubChem CID11544517
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name[(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C/CC(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-7-19-15(18)20-12-9-8-10-14(17)11-13-21-22(5,6)16(2,3)4/h8-9,14,17H,7,10-13H2,1-6H3/b9-8+
InChIKeyDAPHCNFSFYAGLH-CMDGGOBGSA-N
XLogP3.88
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate?
The IUPAC name of [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate (CID 11544517) is [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate.
What is the SMILES notation for [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate?
The canonical SMILES for [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate is CCOC(=O)OC/C=C/CC(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate?
The InChIKey is DAPHCNFSFYAGLH-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-7-19-15(18)20-12-9-8-10-14(17)11-13-21-22(5,6)16(2,3)4/h8-9,14,17H,7,10-13H2,1-6H3/b9-8+.
What are the key properties of [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate?
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate has a molecular weight of 332.51 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate is sourced from PubChem (CID 11544517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).