6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate

C10H18O7 — CID 88501020

IUPAC6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate
SMILESO=C(CCCCC(=O)OCC(O)O)OCCO
InChIInChI=1S/C10H18O7/c11-5-6-16-9(14)3-1-2-4-10(15)17-7-8(12)13/h8,11-13H,1-7H2
InChIKeySSUHUBKQLHZRCH-UHFFFAOYSA-N
MW250.25 g/mol
LogP-1.06
Rot. Bonds9

About 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate

6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate (PubChem CID 88501020) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate.

Molecular Properties

Compound Name6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate
PubChem CID88501020
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate
SMILESO=C(CCCCC(=O)OCC(O)O)OCCO
InChIInChI=1S/C10H18O7/c11-5-6-16-9(14)3-1-2-4-10(15)17-7-8(12)13/h8,11-13H,1-7H2
InChIKeySSUHUBKQLHZRCH-UHFFFAOYSA-N
XLogP-1.06
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
2-hydroxyethyl 12-oxododec-6-enoate
CID 57104465
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
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
[(2R)-2,3-dihydroxypropyl] 34-hydroxytetratriacontanoate
CID 162985486
1-O-[4-hydroxy-3,3-bis(hydroxymethyl)butyl] 6-O-(2-hydroxyethyl) hexanedioate
CID 175035735
ethene;2-hydroxyethyl hexadecanoate
CID 87221064
4-[6-(2-hydroxyethoxy)-6-oxohexanoyl]oxy-4-oxobutanoic acid
CID 174751438

Frequently Asked Questions

What is the IUPAC name of 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate?
The IUPAC name of 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate (CID 88501020) is 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate.
What is the SMILES notation for 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate?
The canonical SMILES for 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate is O=C(CCCCC(=O)OCC(O)O)OCCO.
What is the InChIKey of 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate?
The InChIKey is SSUHUBKQLHZRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7/c11-5-6-16-9(14)3-1-2-4-10(15)17-7-8(12)13/h8,11-13H,1-7H2.
What are the key properties of 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate?
6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate has a molecular weight of 250.25 g/mol, XLogP of -1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-(2,2-dihydroxyethyl) 1-O-(2-hydroxyethyl) hexanedioate is sourced from PubChem (CID 88501020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).