dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate

C16H32O5Si — CID 57272697

IUPACdimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
SMILESCOC(=O)C(CCCCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O5Si/c1-16(2,3)22(6,7)21-12-10-8-9-11-13(14(17)19-4)15(18)20-5/h13H,8-12H2,1-7H3
InChIKeyPOZMXGYURBJUAL-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.53
Rot. Bonds9

About dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate

dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate (PubChem CID 57272697) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
PubChem CID57272697
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namedimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate
SMILESCOC(=O)C(CCCCCO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O5Si/c1-16(2,3)22(6,7)21-12-10-8-9-11-13(14(17)19-4)15(18)20-5/h13H,8-12H2,1-7H3
InChIKeyPOZMXGYURBJUAL-UHFFFAOYSA-N
XLogP3.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
The IUPAC name of dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate (CID 57272697) is dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate.
What is the SMILES notation for dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
The canonical SMILES for dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate is COC(=O)C(CCCCCO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
The InChIKey is POZMXGYURBJUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-16(2,3)22(6,7)21-12-10-8-9-11-13(14(17)19-4)15(18)20-5/h13H,8-12H2,1-7H3.
What are the key properties of dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate?
dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate has a molecular weight of 332.51 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]propanedioate is sourced from PubChem (CID 57272697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).