bis(3-ethoxypropyl) butanedioate

C14H26O6 — CID 101278689

IUPACbis(3-ethoxypropyl) butanedioate
SMILESCCOCCCOC(=O)CCC(=O)OCCCOCC
InChIInChI=1S/C14H26O6/c1-3-17-9-5-11-19-13(15)7-8-14(16)20-12-6-10-18-4-2/h3-12H2,1-2H3
InChIKeyRFOHPBQRESRAFI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.71
Rot. Bonds13

About bis(3-ethoxypropyl) butanedioate

bis(3-ethoxypropyl) butanedioate (PubChem CID 101278689) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is bis(3-ethoxypropyl) butanedioate.

Molecular Properties

Compound Namebis(3-ethoxypropyl) butanedioate
PubChem CID101278689
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Namebis(3-ethoxypropyl) butanedioate
SMILESCCOCCCOC(=O)CCC(=O)OCCCOCC
InChIInChI=1S/C14H26O6/c1-3-17-9-5-11-19-13(15)7-8-14(16)20-12-6-10-18-4-2/h3-12H2,1-2H3
InChIKeyRFOHPBQRESRAFI-UHFFFAOYSA-N
XLogP1.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
CID 58559856
octyl 4-ethoxybutanoate
CID 134561601
octyl 18-ethoxyoctadecanoate
CID 88843598
octyl 5-ethoxypentanoate
CID 134561600
4-O-(2-ethoxyethyl) 1-O-octyl butanedioate
CID 91701867
octyl 6-ethoxyhexanoate
CID 134561594
pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate
CID 121470119
6-[4-(4-ethoxybutoxy)butoxy]-6-oxohexanoic acid
CID 87459786
2-acetyloxyethyl 4-ethoxybutanoate
CID 23405564
6-ethoxyhexyl 7-sulfanylheptanoate
CID 54496855
3-ethoxypropyl acetate
CID 14847874
3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propyl 4-[4-[3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propoxy]-4-oxobutoxy]butanoate
CID 139796293

Frequently Asked Questions

What is the IUPAC name of bis(3-ethoxypropyl) butanedioate?
The IUPAC name of bis(3-ethoxypropyl) butanedioate (CID 101278689) is bis(3-ethoxypropyl) butanedioate.
What is the SMILES notation for bis(3-ethoxypropyl) butanedioate?
The canonical SMILES for bis(3-ethoxypropyl) butanedioate is CCOCCCOC(=O)CCC(=O)OCCCOCC.
What is the InChIKey of bis(3-ethoxypropyl) butanedioate?
The InChIKey is RFOHPBQRESRAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-3-17-9-5-11-19-13(15)7-8-14(16)20-12-6-10-18-4-2/h3-12H2,1-2H3.
What are the key properties of bis(3-ethoxypropyl) butanedioate?
bis(3-ethoxypropyl) butanedioate has a molecular weight of 290.36 g/mol, XLogP of 1.71, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethoxypropyl) butanedioate is sourced from PubChem (CID 101278689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).