3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene

C14H24O4 — CID 21248444

IUPAC3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene
SMILESCOCCOC1(OCCOC(C)C)C=CCC=C1
InChIInChI=1S/C14H24O4/c1-13(2)16-10-12-18-14(17-11-9-15-3)7-5-4-6-8-14/h5-8,13H,4,9-12H2,1-3H3
InChIKeyLONVBSLAPNDINS-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.30
Rot. Bonds9

About 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene

3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene (PubChem CID 21248444) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene
PubChem CID21248444
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene
SMILESCOCCOC1(OCCOC(C)C)C=CCC=C1
InChIInChI=1S/C14H24O4/c1-13(2)16-10-12-18-14(17-11-9-15-3)7-5-4-6-8-14/h5-8,13H,4,9-12H2,1-3H3
InChIKeyLONVBSLAPNDINS-UHFFFAOYSA-N
XLogP2.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene?
The IUPAC name of 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene (CID 21248444) is 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene.
What is the SMILES notation for 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene?
The canonical SMILES for 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene is COCCOC1(OCCOC(C)C)C=CCC=C1.
What is the InChIKey of 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene?
The InChIKey is LONVBSLAPNDINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-13(2)16-10-12-18-14(17-11-9-15-3)7-5-4-6-8-14/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene?
3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene has a molecular weight of 256.34 g/mol, XLogP of 2.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene is sourced from PubChem (CID 21248444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).