carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium

C28H47Hf-9 — CID 156638100

IUPACcarbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium
SMILESCCCCCC1[C-]=Cc2cc(C)c(C)cc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C16H21.C5H5.7CH3.Hf/c1-4-5-6-7-14-8-9-15-10-12(2)13(3)11-16(14)15;1-2-4-5-3-1;;;;;;;;/h9-11,14H,4-7H2,1-3H3;1-5H;7*1H3;/q9*-1;
InChIKeyPYCSNMUYAIZNBZ-UHFFFAOYSA-N
MW562.17 g/mol
LogP9.35
Rot. Bonds4

About carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium

carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium (PubChem CID 156638100) has the molecular formula C28H47Hf-9 and a molecular weight of 562.17 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium
PubChem CID156638100
Molecular FormulaC28H47Hf-9
Molecular Weight562.17 g/mol
Exact Mass563.32
IUPAC Namecarbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium
SMILESCCCCCC1[C-]=Cc2cc(C)c(C)cc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C16H21.C5H5.7CH3.Hf/c1-4-5-6-7-14-8-9-15-10-12(2)13(3)11-16(14)15;1-2-4-5-3-1;;;;;;;;/h9-11,14H,4-7H2,1-3H3;1-5H;7*1H3;/q9*-1;
InChIKeyPYCSNMUYAIZNBZ-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.17
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium (CID 156638100) is carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium is CCCCCC1[C-]=Cc2cc(C)c(C)cc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium?
The InChIKey is PYCSNMUYAIZNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21.C5H5.7CH3.Hf/c1-4-5-6-7-14-8-9-15-10-12(2)13(3)11-16(14)15;1-2-4-5-3-1;;;;;;;;/h9-11,14H,4-7H2,1-3H3;1-5H;7*1H3;/q9*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium?
carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium has a molecular weight of 562.17 g/mol, XLogP of 9.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium is sourced from PubChem (CID 156638100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).