dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene

C11H16Cl2Zr — CID 175026827

IUPACdichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene
SMILESCCCCC=CC1=CCC=C1.Cl[Zr]Cl
InChIInChI=1S/C11H16.2ClH.Zr/c1-2-3-4-5-8-11-9-6-7-10-11;;;/h5-6,8-10H,2-4,7H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyZCFGFJXBYSQLFX-UHFFFAOYSA-L
MW310.38 g/mol
LogP5.00
Rot. Bonds4

About dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene

dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene (PubChem CID 175026827) has the molecular formula C11H16Cl2Zr and a molecular weight of 310.38 g/mol. Its IUPAC name is dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene
PubChem CID175026827
Molecular FormulaC11H16Cl2Zr
Molecular Weight310.38 g/mol
Exact Mass307.97
IUPAC Namedichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene
SMILESCCCCC=CC1=CCC=C1.Cl[Zr]Cl
InChIInChI=1S/C11H16.2ClH.Zr/c1-2-3-4-5-8-11-9-6-7-10-11;;;/h5-6,8-10H,2-4,7H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyZCFGFJXBYSQLFX-UHFFFAOYSA-L
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-but-1-enylcyclopenta-1,3-diene
CID 73196654
2-heptadecylcyclopenta-1,3-diene
CID 91156945
2-[(E)-hex-1-enyl]cycloprop-2-en-1-one
CID 10329344
dec-5-ene;trihydrobromide
CID 175802238
3-[(E)-hex-1-enyl]cyclopent-2-en-1-one
CID 22395801
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
1-oct-1-enylcyclopentene
CID 134887291
1-[(E)-hept-1-enyl]cyclohexene
CID 173298368
2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
CID 102152874
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene?
The IUPAC name of dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene (CID 175026827) is dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene.
What is the SMILES notation for dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene?
The canonical SMILES for dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene is CCCCC=CC1=CCC=C1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene?
The InChIKey is ZCFGFJXBYSQLFX-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H16.2ClH.Zr/c1-2-3-4-5-8-11-9-6-7-10-11;;;/h5-6,8-10H,2-4,7H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene?
dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene has a molecular weight of 310.38 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene is sourced from PubChem (CID 175026827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).