2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene

C13H20O2 — CID 143806825

IUPAC2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene
SMILESCCOC/C=C/COC1=C(C)CCC=C1
InChIInChI=1S/C13H20O2/c1-3-14-10-6-7-11-15-13-9-5-4-8-12(13)2/h5-7,9H,3-4,8,10-11H2,1-2H3/b7-6+
InChIKeyUJPJCTSWDSHAPF-VOTSOKGWSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds6

About 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene

2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene (PubChem CID 143806825) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene
PubChem CID143806825
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene
SMILESCCOC/C=C/COC1=C(C)CCC=C1
InChIInChI=1S/C13H20O2/c1-3-14-10-6-7-11-15-13-9-5-4-8-12(13)2/h5-7,9H,3-4,8,10-11H2,1-2H3/b7-6+
InChIKeyUJPJCTSWDSHAPF-VOTSOKGWSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
ethane;1-methyl-2-propoxycyclohexa-1,3-diene
CID 144678708
1-chloro-4-ethoxybut-2-ene
CID 567303
6-methyl-2-[(Z)-pent-2-enoxy]cyclohexa-1,3-diene
CID 143382100
ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
CID 100915325
2-ethoxy-1,4-dimethylcyclohexa-1,3-diene
CID 142132328
2-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-1-methylcyclohexa-1,3-diene
CID 144519200
(Z)-but-2-ene;ethane;(E)-1-ethoxybut-2-ene
CID 142112928
3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine
CID 89150413
2-isocyanato-1-methylcyclohexa-1,3-diene
CID 163462349
5-ethoxy-6-methyl-2H-pyran
CID 154452264
ethane;2-[(E)-3-ethoxyprop-1-enyl]pyridine
CID 143443424

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene?
The IUPAC name of 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene (CID 143806825) is 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene is CCOC/C=C/COC1=C(C)CCC=C1.
What is the InChIKey of 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene?
The InChIKey is UJPJCTSWDSHAPF-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-14-10-6-7-11-15-13-9-5-4-8-12(13)2/h5-7,9H,3-4,8,10-11H2,1-2H3/b7-6+.
What are the key properties of 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene?
2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene has a molecular weight of 208.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-ethoxybut-2-enoxy]-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143806825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).