2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid

C13H24O7 — CID 70501702

IUPAC2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid
SMILESCC1(C(=O)O)CCCCC1C(=O)O.OCCOCCO
InChIInChI=1S/C9H14O4.C4H10O3/c1-9(8(12)13)5-3-2-4-6(9)7(10)11;5-1-3-7-4-2-6/h6H,2-5H2,1H3,(H,10,11)(H,12,13);5-6H,1-4H2
InChIKeyZNUBRLIONCVSFM-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.34
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid

2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid (PubChem CID 70501702) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid
PubChem CID70501702
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid
SMILESCC1(C(=O)O)CCCCC1C(=O)O.OCCOCCO
InChIInChI=1S/C9H14O4.C4H10O3/c1-9(8(12)13)5-3-2-4-6(9)7(10)11;5-1-3-7-4-2-6/h6H,2-5H2,1H3,(H,10,11)(H,12,13);5-6H,1-4H2
InChIKeyZNUBRLIONCVSFM-UHFFFAOYSA-N
XLogP0.34
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid (CID 70501702) is 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid is CC1(C(=O)O)CCCCC1C(=O)O.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid?
The InChIKey is ZNUBRLIONCVSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4.C4H10O3/c1-9(8(12)13)5-3-2-4-6(9)7(10)11;5-1-3-7-4-2-6/h6H,2-5H2,1H3,(H,10,11)(H,12,13);5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid?
2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;1-methylcyclohexane-1,2-dicarboxylic acid is sourced from PubChem (CID 70501702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).