dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol

C20H40O9 — CID 163973493

IUPACdodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol
SMILESCCOCCOC(O)COCCO.O=C(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C12H22O4.C8H18O5/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;1-2-11-5-6-13-8(10)7-12-4-3-9/h1-10H2,(H,13,14)(H,15,16);8-10H,2-7H2,1H3
InChIKeySSBLYWRHBADTGL-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.42
Rot. Bonds20

About dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol

dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol (PubChem CID 163973493) has the molecular formula C20H40O9 and a molecular weight of 424.53 g/mol. Its IUPAC name is dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namedodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol
PubChem CID163973493
Molecular FormulaC20H40O9
Molecular Weight424.53 g/mol
Exact Mass424.27
IUPAC Namedodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol
SMILESCCOCCOC(O)COCCO.O=C(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C12H22O4.C8H18O5/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;1-2-11-5-6-13-8(10)7-12-4-3-9/h1-10H2,(H,13,14)(H,15,16);8-10H,2-7H2,1H3
InChIKeySSBLYWRHBADTGL-UHFFFAOYSA-N
XLogP2.42
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.42
H-Bond Donors ≤ 54
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

1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87802257
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
CID 90068149
2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
CID 158422063
2-ethoxy-1-[2-(2-ethoxyethoxy)ethoxy]ethanol
CID 88518191
octadecanoic acid;2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol
CID 170852897
1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88724515
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88779964
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87238952

Frequently Asked Questions

What is the IUPAC name of dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol?
The IUPAC name of dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol (CID 163973493) is dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol is CCOCCOC(O)COCCO.O=C(O)CCCCCCCCCCC(=O)O.
What is the InChIKey of dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol?
The InChIKey is SSBLYWRHBADTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4.C8H18O5/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;1-2-11-5-6-13-8(10)7-12-4-3-9/h1-10H2,(H,13,14)(H,15,16);8-10H,2-7H2,1H3.
What are the key properties of dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol?
dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol has a molecular weight of 424.53 g/mol, XLogP of 2.42, 20 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 163973493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).