6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate

C12H22O6 — CID 175289723

IUPAC6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate
SMILESCCOC(=O)CCCCC(=O)OC(COC)OC
InChIInChI=1S/C12H22O6/c1-4-17-10(13)7-5-6-8-11(14)18-12(16-3)9-15-2/h12H,4-9H2,1-3H3
InChIKeyVWWKAZWSBSVYRM-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.27
Rot. Bonds10

About 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate

6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate (PubChem CID 175289723) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate.

Molecular Properties

Compound Name6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate
PubChem CID175289723
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate
SMILESCCOC(=O)CCCCC(=O)OC(COC)OC
InChIInChI=1S/C12H22O6/c1-4-17-10(13)7-5-6-8-11(14)18-12(16-3)9-15-2/h12H,4-9H2,1-3H3
InChIKeyVWWKAZWSBSVYRM-UHFFFAOYSA-N
XLogP1.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

ethyl 5-methoxypentanoate
CID 21476247
diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
diethyl 4-methylhexadecanedioate
CID 87116556
1-methoxypropyl octadecanoate
CID 20514350
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
diethyl 4-methylpentadecanedioate
CID 87116582
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826
bis(2,2-dimethoxyethyl) pentanedioate
CID 88691343
sodium;diethyl decanedioate;hydride
CID 173076435
bismuthane;ethyl 6-methylheptanoate
CID 175540267
ethyl 17-methyloctadecanoate
CID 122524767

Frequently Asked Questions

What is the IUPAC name of 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate?
The IUPAC name of 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate (CID 175289723) is 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate.
What is the SMILES notation for 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate?
The canonical SMILES for 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate is CCOC(=O)CCCCC(=O)OC(COC)OC.
What is the InChIKey of 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate?
The InChIKey is VWWKAZWSBSVYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-4-17-10(13)7-5-6-8-11(14)18-12(16-3)9-15-2/h12H,4-9H2,1-3H3.
What are the key properties of 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate?
6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate has a molecular weight of 262.30 g/mol, XLogP of 1.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate is sourced from PubChem (CID 175289723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).