1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene

C10H16O — CID 22955521

IUPAC1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene
SMILESCOCCC1=CCC(C)=CC1
InChIInChI=1S/C10H16O/c1-9-3-5-10(6-4-9)7-8-11-2/h3,6H,4-5,7-8H2,1-2H3
InChIKeyGRLVFRIWHBEVLD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene

1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene (PubChem CID 22955521) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene
PubChem CID22955521
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene
SMILESCOCCC1=CCC(C)=CC1
InChIInChI=1S/C10H16O/c1-9-3-5-10(6-4-9)7-8-11-2/h3,6H,4-5,7-8H2,1-2H3
InChIKeyGRLVFRIWHBEVLD-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-Methoxybutylidene)cyclohexane
CID 3022299
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
5-Propyl-3,6-dihydro-pyran
CID 57155725
2-Ethoxyethylcyclohexene
CID 67854625
9-Methyl-5-octen-1-ol
CID 129730728
3-Deuterio-3-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene
CID 146169453
(+/-)-Lavandulol, methyl ether
CID 12663425
5-ethyl-4-prop-2-enyl-3,6-dihydro-2H-pyran
CID 11744822
5-Methoxy-2-methylnon-2-ene
CID 12452113
1,2-Bis(methoxymethyl)-4-methylcyclohexa-1,4-diene
CID 15532466
Geranylethoxyacetylene
CID 129811678
8-Methoxy-2,4-dimethyl-3-octene
CID 3022779

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene?
The IUPAC name of 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene (CID 22955521) is 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene?
The canonical SMILES for 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene is COCCC1=CCC(C)=CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene?
The InChIKey is GRLVFRIWHBEVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9-3-5-10(6-4-9)7-8-11-2/h3,6H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene?
1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene has a molecular weight of 152.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methylcyclohexa-1,4-diene is sourced from PubChem (CID 22955521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).