dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate

C17H32O5Si — CID 10871666

IUPACdimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)C(C)(C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-16(2,3)23(8,9)22-12-10-11-17(4,5)13(14(18)20-6)15(19)21-7/h10-11,13H,12H2,1-9H3/b11-10+
InChIKeyBXILBTLJJGDKED-ZHACJKMWSA-N
MW344.52 g/mol
LogP3.55
Rot. Bonds7

About dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate

dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate (PubChem CID 10871666) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate
PubChem CID10871666
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Namedimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)C(C)(C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-16(2,3)23(8,9)22-12-10-11-17(4,5)13(14(18)20-6)15(19)21-7/h10-11,13H,12H2,1-9H3/b11-10+
InChIKeyBXILBTLJJGDKED-ZHACJKMWSA-N
XLogP3.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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 dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate?
The IUPAC name of dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate (CID 10871666) is dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate?
The canonical SMILES for dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate is COC(=O)C(C(=O)OC)C(C)(C)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate?
The InChIKey is BXILBTLJJGDKED-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-16(2,3)23(8,9)22-12-10-11-17(4,5)13(14(18)20-6)15(19)21-7/h10-11,13H,12H2,1-9H3/b11-10+.
What are the key properties of dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate?
dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate has a molecular weight of 344.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate is sourced from PubChem (CID 10871666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).