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

C26H41Hf-7 — CID 156678434

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-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C16H21.C5H5.5CH3.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;5*1H3;/q7*-1;
InChIKeyQRRAKYMUMOFSFU-UHFFFAOYSA-N
MW532.10 g/mol
LogP8.45
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 156678434) has the molecular formula C26H41Hf-7 and a molecular weight of 532.10 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 CID156678434
Molecular FormulaC26H41Hf-7
Molecular Weight532.10 g/mol
Exact Mass533.27
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-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C16H21.C5H5.5CH3.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;5*1H3;/q7*-1;
InChIKeyQRRAKYMUMOFSFU-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.10
LogP ≤ 58.45
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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Related Compounds

carbanide;cyclopenta-1,3-diene;5,6-dimethyl-1-pentyl-1,2-dihydroinden-2-ide;hafnium
CID 156638100
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CID 156638237
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CID 86706728
carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide
CID 163362666
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CID 174711446
bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)
CID 174299170
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CID 172819800
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CID 106986257
cyclopenta-1,3-diene;1-[(2,6-difluorophenyl)methyl]-1,2-dihydroinden-2-ide;zirconium(4+);dichloride
CID 172834405
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CID 173431292
chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene
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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 156678434) 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-].[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 QRRAKYMUMOFSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21.C5H5.5CH3.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;5*1H3;/q7*-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 532.10 g/mol, XLogP of 8.45, 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 156678434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).