2-butylcyclopenta-1,3-diene;hafnium;dibromide

C9H13Br2Hf-3 — CID 174700616

IUPAC2-butylcyclopenta-1,3-diene;hafnium;dibromide
SMILESCCCCC1=[C-]CC=C1.[Br-].[Br-].[Hf]
InChIInChI=1S/C9H13.2BrH.Hf/c1-2-3-6-9-7-4-5-8-9;;;/h4,7H,2-3,5-6H2,1H3;2*1H;/q-1;;;/p-2
InChIKeyRNIQXOVRUFNTPA-UHFFFAOYSA-L
MW459.50 g/mol
LogP-3.13
Rot. Bonds3

About 2-butylcyclopenta-1,3-diene;hafnium;dibromide

2-butylcyclopenta-1,3-diene;hafnium;dibromide (PubChem CID 174700616) has the molecular formula C9H13Br2Hf-3 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-butylcyclopenta-1,3-diene;hafnium;dibromide.

Molecular Properties

Compound Name2-butylcyclopenta-1,3-diene;hafnium;dibromide
PubChem CID174700616
Molecular FormulaC9H13Br2Hf-3
Molecular Weight459.50 g/mol
Exact Mass458.89
IUPAC Name2-butylcyclopenta-1,3-diene;hafnium;dibromide
SMILESCCCCC1=[C-]CC=C1.[Br-].[Br-].[Hf]
InChIInChI=1S/C9H13.2BrH.Hf/c1-2-3-6-9-7-4-5-8-9;;;/h4,7H,2-3,5-6H2,1H3;2*1H;/q-1;;;/p-2
InChIKeyRNIQXOVRUFNTPA-UHFFFAOYSA-L
XLogP-3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 5-3.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-Cyclopentadiene, 1-propyl
CID 528171
3-Ethylidene-1-methyl-1-cyclopentene
CID 44005
Cyclopentene, 3-ethylidene-1-methyl-
CID 5368810
n-Butyl cyclopentadiene
CID 102598
1-Ethenyl-3-methylenecyclopentene
CID 562142
5-Pentylidenecyclopenta-1,3-diene
CID 11988485
(e)-3-Propylidenecyclopentene
CID 143261522
1,3-Cyclopentadiene, 2-butyl
CID 528174
5-(1-Methyl-pent-4-enylidene)-cyclopenta-1,3-diene
CID 12502067
1-[(E)-oct-1-enyl]cyclopentene
CID 13839507
(3Z)-3-propylidenecyclopentene
CID 134979827
Isopropenylcyclopentadiene
CID 12154751

Frequently Asked Questions

What is the IUPAC name of 2-butylcyclopenta-1,3-diene;hafnium;dibromide?
The IUPAC name of 2-butylcyclopenta-1,3-diene;hafnium;dibromide (CID 174700616) is 2-butylcyclopenta-1,3-diene;hafnium;dibromide.
What is the SMILES notation for 2-butylcyclopenta-1,3-diene;hafnium;dibromide?
The canonical SMILES for 2-butylcyclopenta-1,3-diene;hafnium;dibromide is CCCCC1=[C-]CC=C1.[Br-].[Br-].[Hf].
What is the InChIKey of 2-butylcyclopenta-1,3-diene;hafnium;dibromide?
The InChIKey is RNIQXOVRUFNTPA-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.2BrH.Hf/c1-2-3-6-9-7-4-5-8-9;;;/h4,7H,2-3,5-6H2,1H3;2*1H;/q-1;;;/p-2.
What are the key properties of 2-butylcyclopenta-1,3-diene;hafnium;dibromide?
2-butylcyclopenta-1,3-diene;hafnium;dibromide has a molecular weight of 459.50 g/mol, XLogP of -3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylcyclopenta-1,3-diene;hafnium;dibromide is sourced from PubChem (CID 174700616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).