1-ethoxy-5-methoxycyclohexa-1,3-diene

C9H14O2 — CID 173070219

IUPAC1-ethoxy-5-methoxycyclohexa-1,3-diene
SMILESCCOC1=CC=CC(OC)C1
InChIInChI=1S/C9H14O2/c1-3-11-9-6-4-5-8(7-9)10-2/h4-6,8H,3,7H2,1-2H3
InChIKeyAAUXEQQFSBLGGE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds3

About 1-ethoxy-5-methoxycyclohexa-1,3-diene

1-ethoxy-5-methoxycyclohexa-1,3-diene (PubChem CID 173070219) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethoxy-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethoxy-5-methoxycyclohexa-1,3-diene
PubChem CID173070219
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-ethoxy-5-methoxycyclohexa-1,3-diene
SMILESCCOC1=CC=CC(OC)C1
InChIInChI=1S/C9H14O2/c1-3-11-9-6-4-5-8(7-9)10-2/h4-6,8H,3,7H2,1-2H3
InChIKeyAAUXEQQFSBLGGE-UHFFFAOYSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 1-ethoxy-5-methoxycyclohexa-1,3-diene (CID 173070219) is 1-ethoxy-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1-ethoxy-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1-ethoxy-5-methoxycyclohexa-1,3-diene is CCOC1=CC=CC(OC)C1.
What is the InChIKey of 1-ethoxy-5-methoxycyclohexa-1,3-diene?
The InChIKey is AAUXEQQFSBLGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-11-9-6-4-5-8(7-9)10-2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-ethoxy-5-methoxycyclohexa-1,3-diene?
1-ethoxy-5-methoxycyclohexa-1,3-diene has a molecular weight of 154.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 173070219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).