1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene

C10H16O2 — CID 142222502

IUPAC1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene
SMILESCOCCOC1=CC=C(C)CC1
InChIInChI=1S/C10H16O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3,5H,4,6-8H2,1-2H3
InChIKeyCPXOEMCBXVIUDT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds4

About 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene

1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene (PubChem CID 142222502) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene
PubChem CID142222502
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene
SMILESCOCCOC1=CC=C(C)CC1
InChIInChI=1S/C10H16O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3,5H,4,6-8H2,1-2H3
InChIKeyCPXOEMCBXVIUDT-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene?
The IUPAC name of 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene (CID 142222502) is 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene is COCCOC1=CC=C(C)CC1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene?
The InChIKey is CPXOEMCBXVIUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h3,5H,4,6-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene?
1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene has a molecular weight of 168.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 142222502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).