2-ethoxy-1-methylcyclohexa-1,3-diene

C9H14O — CID 19805352

IUPAC2-ethoxy-1-methylcyclohexa-1,3-diene
SMILESCCOC1=C(C)CCC=C1
InChIInChI=1S/C9H14O/c1-3-10-9-7-5-4-6-8(9)2/h5,7H,3-4,6H2,1-2H3
InChIKeyZTKMAUPDHVGJFQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.65
Rot. Bonds2

About 2-ethoxy-1-methylcyclohexa-1,3-diene

2-ethoxy-1-methylcyclohexa-1,3-diene (PubChem CID 19805352) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethoxy-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethoxy-1-methylcyclohexa-1,3-diene
PubChem CID19805352
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-ethoxy-1-methylcyclohexa-1,3-diene
SMILESCCOC1=C(C)CCC=C1
InChIInChI=1S/C9H14O/c1-3-10-9-7-5-4-6-8(9)2/h5,7H,3-4,6H2,1-2H3
InChIKeyZTKMAUPDHVGJFQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methylcyclohexa-1,3-diene?
The IUPAC name of 2-ethoxy-1-methylcyclohexa-1,3-diene (CID 19805352) is 2-ethoxy-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-ethoxy-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-ethoxy-1-methylcyclohexa-1,3-diene is CCOC1=C(C)CCC=C1.
What is the InChIKey of 2-ethoxy-1-methylcyclohexa-1,3-diene?
The InChIKey is ZTKMAUPDHVGJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-10-9-7-5-4-6-8(9)2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-ethoxy-1-methylcyclohexa-1,3-diene?
2-ethoxy-1-methylcyclohexa-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 2-ethoxy-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 19805352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).