1-ethyl-4-methoxycyclohexa-1,3-diene

C9H14O — CID 14220118

IUPAC1-ethyl-4-methoxycyclohexa-1,3-diene
SMILESCCC1=CC=C(OC)CC1
InChIInChI=1S/C9H14O/c1-3-8-4-6-9(10-2)7-5-8/h4,6H,3,5,7H2,1-2H3
InChIKeySJVHZTPGSPLKOZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.65
Rot. Bonds2

About 1-ethyl-4-methoxycyclohexa-1,3-diene

1-ethyl-4-methoxycyclohexa-1,3-diene (PubChem CID 14220118) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-ethyl-4-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-4-methoxycyclohexa-1,3-diene
PubChem CID14220118
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-ethyl-4-methoxycyclohexa-1,3-diene
SMILESCCC1=CC=C(OC)CC1
InChIInChI=1S/C9H14O/c1-3-8-4-6-9(10-2)7-5-8/h4,6H,3,5,7H2,1-2H3
InChIKeySJVHZTPGSPLKOZ-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-4-methoxycyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxycyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-4-methoxycyclohexa-1,3-diene (CID 14220118) is 1-ethyl-4-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-4-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-4-methoxycyclohexa-1,3-diene is CCC1=CC=C(OC)CC1.
What is the InChIKey of 1-ethyl-4-methoxycyclohexa-1,3-diene?
The InChIKey is SJVHZTPGSPLKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-8-4-6-9(10-2)7-5-8/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 1-ethyl-4-methoxycyclohexa-1,3-diene?
1-ethyl-4-methoxycyclohexa-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 14220118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).