bis(3-ethoxypropyl) 2-methylpropanedioate

C14H26O6 — CID 101278684

IUPACbis(3-ethoxypropyl) 2-methylpropanedioate
SMILESCCOCCCOC(=O)C(C)C(=O)OCCCOCC
InChIInChI=1S/C14H26O6/c1-4-17-8-6-10-19-13(15)12(3)14(16)20-11-7-9-18-5-2/h12H,4-11H2,1-3H3
InChIKeyFFQRPSYOELPVAA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.56
Rot. Bonds12

About bis(3-ethoxypropyl) 2-methylpropanedioate

bis(3-ethoxypropyl) 2-methylpropanedioate (PubChem CID 101278684) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is bis(3-ethoxypropyl) 2-methylpropanedioate.

Molecular Properties

Compound Namebis(3-ethoxypropyl) 2-methylpropanedioate
PubChem CID101278684
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Namebis(3-ethoxypropyl) 2-methylpropanedioate
SMILESCCOCCCOC(=O)C(C)C(=O)OCCCOCC
InChIInChI=1S/C14H26O6/c1-4-17-8-6-10-19-13(15)12(3)14(16)20-11-7-9-18-5-2/h12H,4-11H2,1-3H3
InChIKeyFFQRPSYOELPVAA-UHFFFAOYSA-N
XLogP1.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-ethoxypropyl 2,2-difluoroacetate
CID 88537747
4-ethoxybutyl 2-hydroxypropanoate
CID 151280591
bis(3-ethoxypropyl) 2-propylpropanedioate
CID 101278733
3-ethoxypropyl acetate
CID 14847874
bis(3-ethoxypropyl) butanedioate
CID 101278689
6-ethoxyhexyl acetate
CID 123617931
2-methylpropyl 5-ethoxypentanoate
CID 134561758
1-O-(2-hydroxyethyl) 3-O-octadecyl 2-methylpropanedioate
CID 153438598
diethyl 2-methylpropanedioate;zirconium
CID 174876844
3-ethoxypropyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 122155440
bis(4-ethoxybutyl) (Z)-but-2-enedioate
CID 87899357
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497

Frequently Asked Questions

What is the IUPAC name of bis(3-ethoxypropyl) 2-methylpropanedioate?
The IUPAC name of bis(3-ethoxypropyl) 2-methylpropanedioate (CID 101278684) is bis(3-ethoxypropyl) 2-methylpropanedioate.
What is the SMILES notation for bis(3-ethoxypropyl) 2-methylpropanedioate?
The canonical SMILES for bis(3-ethoxypropyl) 2-methylpropanedioate is CCOCCCOC(=O)C(C)C(=O)OCCCOCC.
What is the InChIKey of bis(3-ethoxypropyl) 2-methylpropanedioate?
The InChIKey is FFQRPSYOELPVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-4-17-8-6-10-19-13(15)12(3)14(16)20-11-7-9-18-5-2/h12H,4-11H2,1-3H3.
What are the key properties of bis(3-ethoxypropyl) 2-methylpropanedioate?
bis(3-ethoxypropyl) 2-methylpropanedioate has a molecular weight of 290.36 g/mol, XLogP of 1.56, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethoxypropyl) 2-methylpropanedioate is sourced from PubChem (CID 101278684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).