(5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene

C9H12 — CID 163738660

IUPAC(5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene
SMILESC=C[C@@H]1C=CC(C)=C1C
InChIInChI=1S/C9H12/c1-4-9-6-5-7(2)8(9)3/h4-6,9H,1H2,2-3H3/t9-/m1/s1
InChIKeyLFWBUHFFUZBNHH-SECBINFHSA-N
MW120.19 g/mol
LogP2.69
Rot. Bonds1

About (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene

(5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene (PubChem CID 163738660) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name(5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene
PubChem CID163738660
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene
SMILESC=C[C@@H]1C=CC(C)=C1C
InChIInChI=1S/C9H12/c1-4-9-6-5-7(2)8(9)3/h4-6,9H,1H2,2-3H3/t9-/m1/s1
InChIKeyLFWBUHFFUZBNHH-SECBINFHSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5R)-5-ethenyl-1,2-dimethylcyclopenta-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

4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene
CID 163583110
1,2,5-trimethylcyclopenta-1,3-diene;zirconium
CID 174480219
1-ethenyl-1H-indene;titanium(2+);dichloride
CID 86754272
5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene
CID 143345924
5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene
CID 143688466
(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one
CID 58012719
N-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine;methane;prop-1-ene
CID 142585035
2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane
CID 143491336
(3S)-3-ethenyl-4-methyl-2,3-dihydro-1H-pyrazole
CID 174074877
4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine
CID 163663625
5-methylbicyclo[2.1.0]penta-1(5),2-diene
CID 86017292
(6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene
CID 144842164

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene?
The IUPAC name of (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene (CID 163738660) is (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene?
The canonical SMILES for (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene is C=C[C@@H]1C=CC(C)=C1C.
What is the InChIKey of (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene?
The InChIKey is LFWBUHFFUZBNHH-SECBINFHSA-N. The full InChI is InChI=1S/C9H12/c1-4-9-6-5-7(2)8(9)3/h4-6,9H,1H2,2-3H3/t9-/m1/s1.
What are the key properties of (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene?
(5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene has a molecular weight of 120.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethenyl-1,2-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 163738660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).