4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium

C14H17Hf- — CID 175534262

IUPAC4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium
SMILESCC(C)(C)C1(C)C=CC=C2[C-]=CC=C21.[Hf]
InChIInChI=1S/C14H17.Hf/c1-13(2,3)14(4)10-6-8-11-7-5-9-12(11)14;/h5-6,8-10H,1-4H3;/q-1;
InChIKeyYDCZMEDBNHPPEL-UHFFFAOYSA-N
MW363.78 g/mol
LogP3.83
Rot. Bonds

About 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium

4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium (PubChem CID 175534262) has the molecular formula C14H17Hf- and a molecular weight of 363.78 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium
PubChem CID175534262
Molecular FormulaC14H17Hf-
Molecular Weight363.78 g/mol
Exact Mass365.08
IUPAC Name4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium
SMILESCC(C)(C)C1(C)C=CC=C2[C-]=CC=C21.[Hf]
InChIInChI=1S/C14H17.Hf/c1-13(2,3)14(4)10-6-8-11-7-5-9-12(11)14;/h5-6,8-10H,1-4H3;/q-1;
InChIKeyYDCZMEDBNHPPEL-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.83
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

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2,6-ditert-butyl-6-[(1,5-ditert-butyl-6-hydroxycyclohexa-2,4-dien-1-yl)methyl]cyclohexa-2,4-dien-1-ol
CID 68567499
2,6-ditert-butyl-6-ethylcyclohexa-2,4-dien-1-ol
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2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 68722196
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-6-methylcyclohexa-2,4-dien-1-ol
CID 155680078
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CID 142081613
1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol
CID 141200854
1,5-dimethylcyclohexa-2,4-diene-1-sulfinic acid
CID 163846688
6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol
CID 21293799
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CID 90813280
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium?
The IUPAC name of 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium (CID 175534262) is 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium.
What is the SMILES notation for 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium?
The canonical SMILES for 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium is CC(C)(C)C1(C)C=CC=C2[C-]=CC=C21.[Hf].
What is the InChIKey of 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium?
The InChIKey is YDCZMEDBNHPPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17.Hf/c1-13(2,3)14(4)10-6-8-11-7-5-9-12(11)14;/h5-6,8-10H,1-4H3;/q-1;.
What are the key properties of 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium?
4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium has a molecular weight of 363.78 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium is sourced from PubChem (CID 175534262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).