5-propylcyclohexa-1,3-diene

C9H14 — CID 13212987

IUPAC5-propylcyclohexa-1,3-diene
SMILESCCCC1C=CC=CC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h3-5,7,9H,2,6,8H2,1H3
InChIKeyJIBCYGLUNYYQKV-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds2

About 5-propylcyclohexa-1,3-diene

5-propylcyclohexa-1,3-diene (PubChem CID 13212987) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 5-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-propylcyclohexa-1,3-diene
PubChem CID13212987
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name5-propylcyclohexa-1,3-diene
SMILESCCCC1C=CC=CC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h3-5,7,9H,2,6,8H2,1H3
InChIKeyJIBCYGLUNYYQKV-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-propylcyclohexa-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 5-propylcyclohexa-1,3-diene?
The IUPAC name of 5-propylcyclohexa-1,3-diene (CID 13212987) is 5-propylcyclohexa-1,3-diene.
What is the SMILES notation for 5-propylcyclohexa-1,3-diene?
The canonical SMILES for 5-propylcyclohexa-1,3-diene is CCCC1C=CC=CC1.
What is the InChIKey of 5-propylcyclohexa-1,3-diene?
The InChIKey is JIBCYGLUNYYQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h3-5,7,9H,2,6,8H2,1H3.
What are the key properties of 5-propylcyclohexa-1,3-diene?
5-propylcyclohexa-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylcyclohexa-1,3-diene is sourced from PubChem (CID 13212987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).