dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate

C16H30O5Si — CID 10544438

IUPACdimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate
SMILESC=CC[C@@H](CC(C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O5Si/c1-9-10-12(21-22(7,8)16(2,3)4)11-13(14(17)19-5)15(18)20-6/h9,12-13H,1,10-11H2,2-8H3/t12-/m0/s1
InChIKeyWZWOBHCWSDWNMT-LBPRGKRZSA-N
MW330.50 g/mol
LogP3.31
Rot. Bonds8

About dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate

dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate (PubChem CID 10544438) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate
PubChem CID10544438
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Namedimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate
SMILESC=CC[C@@H](CC(C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O5Si/c1-9-10-12(21-22(7,8)16(2,3)4)11-13(14(17)19-5)15(18)20-6/h9,12-13H,1,10-11H2,2-8H3/t12-/m0/s1
InChIKeyWZWOBHCWSDWNMT-LBPRGKRZSA-N
XLogP3.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.31
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-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate?
The IUPAC name of dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate (CID 10544438) is dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate?
The canonical SMILES for dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate is C=CC[C@@H](CC(C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate?
The InChIKey is WZWOBHCWSDWNMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-9-10-12(21-22(7,8)16(2,3)4)11-13(14(17)19-5)15(18)20-6/h9,12-13H,1,10-11H2,2-8H3/t12-/m0/s1.
What are the key properties of dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate?
dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate has a molecular weight of 330.50 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]propanedioate is sourced from PubChem (CID 10544438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).