2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene

C14H24 — CID 143498372

IUPAC2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene
SMILESCCCC(CC)(CC)C1=C(C)CC=C1
InChIInChI=1S/C14H24/c1-5-11-14(6-2,7-3)13-10-8-9-12(13)4/h8,10H,5-7,9,11H2,1-4H3
InChIKeyGIRYFJUNMBCTCH-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.87
Rot. Bonds5

About 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene

2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene (PubChem CID 143498372) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene
PubChem CID143498372
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene
SMILESCCCC(CC)(CC)C1=C(C)CC=C1
InChIInChI=1S/C14H24/c1-5-11-14(6-2,7-3)13-10-8-9-12(13)4/h8,10H,5-7,9,11H2,1-4H3
InChIKeyGIRYFJUNMBCTCH-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-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

1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene
CID 144803270
CID 161173679
CID 161173679
2-(4-ethylheptan-4-yl)cyclopenta-1,3-diene;zirconium(3+);dichloride
CID 175553821
2-(3-ethylhexan-3-yl)cyclopenta-1,3-diene;zirconium(3+);dichloride
CID 175553803
1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene
CID 144712629
1-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 12500117
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
(2-tert-butylcyclopenta-1,3-dien-1-yl)-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 123492298
azetidine;1,2-dimethylcyclopenta-1,3-diene
CID 174436418
1-methyl-2-propylcyclohexa-1,4-diene
CID 165065893
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560
1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene
CID 54440744

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene?
The IUPAC name of 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene (CID 143498372) is 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene.
What is the SMILES notation for 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene?
The canonical SMILES for 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene is CCCC(CC)(CC)C1=C(C)CC=C1.
What is the InChIKey of 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene?
The InChIKey is GIRYFJUNMBCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-11-14(6-2,7-3)13-10-8-9-12(13)4/h8,10H,5-7,9,11H2,1-4H3.
What are the key properties of 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene?
2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 143498372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).