6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene

C14H24O — CID 134856694

IUPAC6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene
SMILESCCCCC(OCC)C1CC=CC=C1C
InChIInChI=1S/C14H24O/c1-4-6-11-14(15-5-2)13-10-8-7-9-12(13)3/h7-9,13-14H,4-6,10-11H2,1-3H3
InChIKeyRFLOQUOAFLFAMB-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.10
Rot. Bonds6

About 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene

6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene (PubChem CID 134856694) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene
PubChem CID134856694
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene
SMILESCCCCC(OCC)C1CC=CC=C1C
InChIInChI=1S/C14H24O/c1-4-6-11-14(15-5-2)13-10-8-7-9-12(13)3/h7-9,13-14H,4-6,10-11H2,1-3H3
InChIKeyRFLOQUOAFLFAMB-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(1-ethoxypentyl)-1-methylcyclohexa-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 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene?
The IUPAC name of 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene (CID 134856694) is 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene is CCCCC(OCC)C1CC=CC=C1C.
What is the InChIKey of 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene?
The InChIKey is RFLOQUOAFLFAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-6-11-14(15-5-2)13-10-8-7-9-12(13)3/h7-9,13-14H,4-6,10-11H2,1-3H3.
What are the key properties of 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene?
6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene has a molecular weight of 208.34 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypentyl)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 134856694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).