diethyl 2-(2-butoxyethyl)-2-propylpropanedioate

C16H30O5 — CID 103972819

IUPACdiethyl 2-(2-butoxyethyl)-2-propylpropanedioate
SMILESCCCCOCCC(CCC)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H30O5/c1-5-9-12-19-13-11-16(10-6-2,14(17)20-7-3)15(18)21-8-4/h5-13H2,1-4H3
InChIKeyJKPDSCFZQWGSLW-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.11
Rot. Bonds12

About diethyl 2-(2-butoxyethyl)-2-propylpropanedioate

diethyl 2-(2-butoxyethyl)-2-propylpropanedioate (PubChem CID 103972819) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is diethyl 2-(2-butoxyethyl)-2-propylpropanedioate.

Molecular Properties

Compound Namediethyl 2-(2-butoxyethyl)-2-propylpropanedioate
PubChem CID103972819
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Namediethyl 2-(2-butoxyethyl)-2-propylpropanedioate
SMILESCCCCOCCC(CCC)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H30O5/c1-5-9-12-19-13-11-16(10-6-2,14(17)20-7-3)15(18)21-8-4/h5-13H2,1-4H3
InChIKeyJKPDSCFZQWGSLW-UHFFFAOYSA-N
XLogP3.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.11
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'}

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Related Compounds

1-O-ethyl 3-O-propyl 2,2-dipropylpropanedioate
CID 166951365
diethyl 2-(3-hydroxypropyl)-2-propylpropanedioate
CID 103972820
tetraethyl pentadecane-4,4,10,10-tetracarboxylate
CID 134314067
1-O-butyl 3-O-ethyl 2,2-diethylpropanedioate
CID 119025395
1-butoxybutane;propan-2-one
CID 18424800
ethyl 2-(2-butoxyethoxy)-2,2-difluoroacetate
CID 66452206
2-ethoxycarbonyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanoic acid
CID 113360424
triethyl nonane-1,5,5-tricarboxylate
CID 15567677
ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
CID 66225205
bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate
CID 101102682
2-ethoxycarbonyl-6-hydroxy-2-propylhexanoic acid
CID 103974178
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-butoxyethyl)-2-propylpropanedioate?
The IUPAC name of diethyl 2-(2-butoxyethyl)-2-propylpropanedioate (CID 103972819) is diethyl 2-(2-butoxyethyl)-2-propylpropanedioate.
What is the SMILES notation for diethyl 2-(2-butoxyethyl)-2-propylpropanedioate?
The canonical SMILES for diethyl 2-(2-butoxyethyl)-2-propylpropanedioate is CCCCOCCC(CCC)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(2-butoxyethyl)-2-propylpropanedioate?
The InChIKey is JKPDSCFZQWGSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-5-9-12-19-13-11-16(10-6-2,14(17)20-7-3)15(18)21-8-4/h5-13H2,1-4H3.
What are the key properties of diethyl 2-(2-butoxyethyl)-2-propylpropanedioate?
diethyl 2-(2-butoxyethyl)-2-propylpropanedioate has a molecular weight of 302.41 g/mol, XLogP of 3.11, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-butoxyethyl)-2-propylpropanedioate is sourced from PubChem (CID 103972819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).