bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate

C20H38O8 — CID 122472522

IUPACbis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
SMILESCC(C)OCCOCCOC(=O)CCCCC(=O)OCCOCCOC(C)C
InChIInChI=1S/C20H38O8/c1-17(2)25-13-9-23-11-15-27-19(21)7-5-6-8-20(22)28-16-12-24-10-14-26-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeySUEWBYRRGZXULH-UHFFFAOYSA-N
MW406.52 g/mol
LogP2.52
Rot. Bonds19

About bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate

bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate (PubChem CID 122472522) has the molecular formula C20H38O8 and a molecular weight of 406.52 g/mol. Its IUPAC name is bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate.

Molecular Properties

Compound Namebis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
PubChem CID122472522
Molecular FormulaC20H38O8
Molecular Weight406.52 g/mol
Exact Mass406.26
IUPAC Namebis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
SMILESCC(C)OCCOCCOC(=O)CCCCC(=O)OCCOCCOC(C)C
InChIInChI=1S/C20H38O8/c1-17(2)25-13-9-23-11-15-27-19(21)7-5-6-8-20(22)28-16-12-24-10-14-26-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeySUEWBYRRGZXULH-UHFFFAOYSA-N
XLogP2.52
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121469615
2-propan-2-yloxyethyl 5-oxohexanoate
CID 159219412
heptyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121470147
octyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469565
dodecyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469697
2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethyl 6-methylheptanoate
CID 141056021
2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate
CID 141228778
propyl 5-propan-2-yloxypentanoate
CID 161272990
hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate
CID 66339470
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate?
The IUPAC name of bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate (CID 122472522) is bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate.
What is the SMILES notation for bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate?
The canonical SMILES for bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate is CC(C)OCCOCCOC(=O)CCCCC(=O)OCCOCCOC(C)C.
What is the InChIKey of bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate?
The InChIKey is SUEWBYRRGZXULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O8/c1-17(2)25-13-9-23-11-15-27-19(21)7-5-6-8-20(22)28-16-12-24-10-14-26-18(3)4/h17-18H,5-16H2,1-4H3.
What are the key properties of bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate?
bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate has a molecular weight of 406.52 g/mol, XLogP of 2.52, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate is sourced from PubChem (CID 122472522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).