4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene

C14H24 — CID 123496314

IUPAC4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene
SMILESCCCC1C=C=CC1C(CC)C(C)C
InChIInChI=1S/C14H24/c1-5-8-12-9-7-10-14(12)13(6-2)11(3)4/h9-14H,5-6,8H2,1-4H3
InChIKeyWURZGJULFAFYJE-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.43
Rot. Bonds5

About 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene

4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene (PubChem CID 123496314) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene.

Molecular Properties

Compound Name4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene
PubChem CID123496314
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene
SMILESCCCC1C=C=CC1C(CC)C(C)C
InChIInChI=1S/C14H24/c1-5-8-12-9-7-10-14(12)13(6-2)11(3)4/h9-14H,5-6,8H2,1-4H3
InChIKeyWURZGJULFAFYJE-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-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 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene?
The IUPAC name of 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene (CID 123496314) is 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene.
What is the SMILES notation for 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene?
The canonical SMILES for 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene is CCCC1C=C=CC1C(CC)C(C)C.
What is the InChIKey of 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene?
The InChIKey is WURZGJULFAFYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-8-12-9-7-10-14(12)13(6-2)11(3)4/h9-14H,5-6,8H2,1-4H3.
What are the key properties of 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene?
4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene has a molecular weight of 192.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-3-yl)-5-propylcyclopenta-1,2-diene is sourced from PubChem (CID 123496314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).