bis(2-hydroxyethyl) decanedioate

C14H26O6 — CID 14094566

IUPACbis(2-hydroxyethyl) decanedioate
SMILESO=C(CCCCCCCCC(=O)OCCO)OCCO
InChIInChI=1S/C14H26O6/c15-9-11-19-13(17)7-5-3-1-2-4-6-8-14(18)20-12-10-16/h15-16H,1-12H2
InChIKeyHPGPXNBJMFJCTM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.18
Rot. Bonds13

About bis(2-hydroxyethyl) decanedioate

bis(2-hydroxyethyl) decanedioate (PubChem CID 14094566) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is bis(2-hydroxyethyl) decanedioate.

Molecular Properties

Compound Namebis(2-hydroxyethyl) decanedioate
PubChem CID14094566
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Namebis(2-hydroxyethyl) decanedioate
SMILESO=C(CCCCCCCCC(=O)OCCO)OCCO
InChIInChI=1S/C14H26O6/c15-9-11-19-13(17)7-5-3-1-2-4-6-8-14(18)20-12-10-16/h15-16H,1-12H2
InChIKeyHPGPXNBJMFJCTM-UHFFFAOYSA-N
XLogP1.18
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxyethyl) heptanedioate
CID 58519890
12-O-[2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-12-oxododecanoyl]oxyethoxy]ethoxy]ethyl] 1-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] dodecanedioate
CID 102469729
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
ethene;2-hydroxyethyl hexadecanoate
CID 87221064
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667
bis(4-hydroxybutyl) octanedioate
CID 58519863
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
2-hydroxyethyl dec-9-enoate
CID 87084822
6-(6-hydroxyhexanoyloxy)hexyl 6-hydroxyhexanoate;methane
CID 158211085
6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate
CID 88501020

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl) decanedioate?
The IUPAC name of bis(2-hydroxyethyl) decanedioate (CID 14094566) is bis(2-hydroxyethyl) decanedioate.
What is the SMILES notation for bis(2-hydroxyethyl) decanedioate?
The canonical SMILES for bis(2-hydroxyethyl) decanedioate is O=C(CCCCCCCCC(=O)OCCO)OCCO.
What is the InChIKey of bis(2-hydroxyethyl) decanedioate?
The InChIKey is HPGPXNBJMFJCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c15-9-11-19-13(17)7-5-3-1-2-4-6-8-14(18)20-12-10-16/h15-16H,1-12H2.
What are the key properties of bis(2-hydroxyethyl) decanedioate?
bis(2-hydroxyethyl) decanedioate has a molecular weight of 290.36 g/mol, XLogP of 1.18, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl) decanedioate is sourced from PubChem (CID 14094566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).