5-undecylcyclopenta-1,3-diene

C16H28 — CID 141280590

IUPAC5-undecylcyclopenta-1,3-diene
SMILESCCCCCCCCCCCC1C=CC=C1
InChIInChI=1S/C16H28/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-16/h11-12,14-16H,2-10,13H2,1H3
InChIKeyGBZRPAZQRZQNNK-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.65
Rot. Bonds10

About 5-undecylcyclopenta-1,3-diene

5-undecylcyclopenta-1,3-diene (PubChem CID 141280590) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 5-undecylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-undecylcyclopenta-1,3-diene
PubChem CID141280590
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name5-undecylcyclopenta-1,3-diene
SMILESCCCCCCCCCCCC1C=CC=C1
InChIInChI=1S/C16H28/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-16/h11-12,14-16H,2-10,13H2,1H3
InChIKeyGBZRPAZQRZQNNK-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-undecylcyclopenta-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

Related Compounds

6-pentylcyclodeca-2,4,7,9-tetraen-1-one
CID 91465318
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
3-methyl-7-pentylcyclohepta-1,3,5-triene
CID 142802346
(1R,6R)-6-butylcycloocta-2,4,7-trien-1-ol
CID 71416520
5-(5-bromopentyl)cyclopenta-1,3-diene
CID 101201216
16-cyclopenta-2,4-dien-1-ylhexadecane-1-thiol
CID 101474090
2-nonyl-1,2-dihydropyridine
CID 134546505
2-tetradecyl-2H-thiopyran
CID 70400433
5-nonoxycyclopenta-1,3-diene
CID 172821169
6-cyclopenta-2,4-dien-1-ylhexanoic acid
CID 12645352
8-cyclopenta-2,4-dien-1-yloctyl-methoxy-dimethylsilane
CID 141240411
5-[(E)-non-1-enyl]cyclopenta-1,3-diene
CID 15399897

Frequently Asked Questions

What is the IUPAC name of 5-undecylcyclopenta-1,3-diene?
The IUPAC name of 5-undecylcyclopenta-1,3-diene (CID 141280590) is 5-undecylcyclopenta-1,3-diene.
What is the SMILES notation for 5-undecylcyclopenta-1,3-diene?
The canonical SMILES for 5-undecylcyclopenta-1,3-diene is CCCCCCCCCCCC1C=CC=C1.
What is the InChIKey of 5-undecylcyclopenta-1,3-diene?
The InChIKey is GBZRPAZQRZQNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-16/h11-12,14-16H,2-10,13H2,1H3.
What are the key properties of 5-undecylcyclopenta-1,3-diene?
5-undecylcyclopenta-1,3-diene has a molecular weight of 220.40 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-undecylcyclopenta-1,3-diene is sourced from PubChem (CID 141280590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).