2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane

C13H24O3 — CID 175229512

IUPAC2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane
SMILESCCOCCOCCOC=C1CCCCC1
InChIInChI=1S/C13H24O3/c1-2-14-8-9-15-10-11-16-12-13-6-4-3-5-7-13/h12H,2-11H2,1H3
InChIKeyYSBKWZMYEAKLOX-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.90
Rot. Bonds8

About 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane

2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane (PubChem CID 175229512) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane
PubChem CID175229512
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane
SMILESCCOCCOCCOC=C1CCCCC1
InChIInChI=1S/C13H24O3/c1-2-14-8-9-15-10-11-16-12-13-6-4-3-5-7-13/h12H,2-11H2,1H3
InChIKeyYSBKWZMYEAKLOX-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane?
The IUPAC name of 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane (CID 175229512) is 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane?
The canonical SMILES for 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane is CCOCCOCCOC=C1CCCCC1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane?
The InChIKey is YSBKWZMYEAKLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-14-8-9-15-10-11-16-12-13-6-4-3-5-7-13/h12H,2-11H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane?
2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane has a molecular weight of 228.33 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethoxymethylidenecyclohexane is sourced from PubChem (CID 175229512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).