2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate

C15H24O5 — CID 141068386

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate
SMILESCC1C=CC=CC1(C)C(=O)OCCOCCOCCO
InChIInChI=1S/C15H24O5/c1-13-5-3-4-6-15(13,2)14(17)20-12-11-19-10-9-18-8-7-16/h3-6,13,16H,7-12H2,1-2H3
InChIKeyXOADKQBFFJCFQT-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.32
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate (PubChem CID 141068386) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate
PubChem CID141068386
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate
SMILESCC1C=CC=CC1(C)C(=O)OCCOCCOCCO
InChIInChI=1S/C15H24O5/c1-13-5-3-4-6-15(13,2)14(17)20-12-11-19-10-9-18-8-7-16/h3-6,13,16H,7-12H2,1-2H3
InChIKeyXOADKQBFFJCFQT-UHFFFAOYSA-N
XLogP1.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 140969540
(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
CID 141274704
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl 2-methylprop-2-enoate
CID 141487824
(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino] 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate
CID 175286310
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate (CID 141068386) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate is CC1C=CC=CC1(C)C(=O)OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate?
The InChIKey is XOADKQBFFJCFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-13-5-3-4-6-15(13,2)14(17)20-12-11-19-10-9-18-8-7-16/h3-6,13,16H,7-12H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 141068386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).