1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium

C13H22Cl2Zr — CID 174628569

IUPAC1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium
SMILESCCCCC1=CC=CC1CCCC.Cl[Zr]Cl
InChIInChI=1S/C13H22.2ClH.Zr/c1-3-5-8-12-10-7-11-13(12)9-6-4-2;;;/h7,10-12H,3-6,8-9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyKGANFUSZZJKRQG-UHFFFAOYSA-L
MW340.45 g/mol
LogP5.86
Rot. Bonds6

About 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium

1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium (PubChem CID 174628569) has the molecular formula C13H22Cl2Zr and a molecular weight of 340.45 g/mol. Its IUPAC name is 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium.

Molecular Properties

Compound Name1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium
PubChem CID174628569
Molecular FormulaC13H22Cl2Zr
Molecular Weight340.45 g/mol
Exact Mass338.01
IUPAC Name1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium
SMILESCCCCC1=CC=CC1CCCC.Cl[Zr]Cl
InChIInChI=1S/C13H22.2ClH.Zr/c1-3-5-8-12-10-7-11-13(12)9-6-4-2;;;/h7,10-12H,3-6,8-9H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyKGANFUSZZJKRQG-UHFFFAOYSA-L
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium 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

1,5-dioctylcyclopenta-1,3-diene
CID 173106521
(2-butylcyclopenta-2,4-dien-1-yl)silane
CID 150574947
1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174488581
5-butylcyclopenta-1,3-diene-1-sulfonic acid
CID 176533611
1-butyl-5-cyclopentylcyclopenta-1,3-diene
CID 159612509
(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
CID 139699569
3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal
CID 132563823
1,3-dihexylcyclopropene
CID 22621674
3-butyl-2-hexyl-1,2-dihydropyridine
CID 174837451
(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
CID 173383564
5-butylcyclohexa-2,4-dien-1-amine
CID 146424387
6-tridecylcyclohexa-2,4-dien-1-one
CID 141201662

Frequently Asked Questions

What is the IUPAC name of 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium?
The IUPAC name of 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium (CID 174628569) is 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium.
What is the SMILES notation for 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium?
The canonical SMILES for 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium is CCCCC1=CC=CC1CCCC.Cl[Zr]Cl.
What is the InChIKey of 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium?
The InChIKey is KGANFUSZZJKRQG-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H22.2ClH.Zr/c1-3-5-8-12-10-7-11-13(12)9-6-4-2;;;/h7,10-12H,3-6,8-9H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium?
1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium has a molecular weight of 340.45 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium is sourced from PubChem (CID 174628569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).