6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate

C12H22O7 — CID 87303267

IUPAC6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
SMILESO=C(CCCCC(=O)OCCOCCO)OCCO
InChIInChI=1S/C12H22O7/c13-5-7-17-9-10-19-12(16)4-2-1-3-11(15)18-8-6-14/h13-14H,1-10H2
InChIKeyVFNQMCMTEJSCFZ-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.37
Rot. Bonds12

About 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate

6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate (PubChem CID 87303267) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate.

Molecular Properties

Compound Name6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
PubChem CID87303267
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
SMILESO=C(CCCCC(=O)OCCOCCO)OCCO
InChIInChI=1S/C12H22O7/c13-5-7-17-9-10-19-12(16)4-2-1-3-11(15)18-8-6-14/h13-14H,1-10H2
InChIKeyVFNQMCMTEJSCFZ-UHFFFAOYSA-N
XLogP-0.37
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate
CID 175059981
2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate
CID 118889300
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
CID 176892143
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hexadecanoate
CID 139595451
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
bis(3-hydroxypropyl) carbonate;bis(4-(4-hydroxybutoxy)butan-1-ol);1-O-[4-(2-hydroxyethoxy)butyl] 6-O-[2-(2-hydroxyethoxy)ethyl] hexanedioate
CID 159552787

Frequently Asked Questions

What is the IUPAC name of 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate?
The IUPAC name of 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate (CID 87303267) is 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate.
What is the SMILES notation for 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate?
The canonical SMILES for 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate is O=C(CCCCC(=O)OCCOCCO)OCCO.
What is the InChIKey of 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate?
The InChIKey is VFNQMCMTEJSCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7/c13-5-7-17-9-10-19-12(16)4-2-1-3-11(15)18-8-6-14/h13-14H,1-10H2.
What are the key properties of 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate?
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate has a molecular weight of 278.30 g/mol, XLogP of -0.37, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate is sourced from PubChem (CID 87303267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).