1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride

C12H21Cl3HfO2 — CID 160735156

IUPAC1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride
SMILESCCC[c-]1cccc1.COCCOC.[Cl-].[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C8H11.C4H10O2.3ClH.Hf/c1-2-5-8-6-3-4-7-8;1-5-3-4-6-2;;;;/h3-4,6-7H,2,5H2,1H3;3-4H2,1-2H3;3*1H;/q-1;;;;;+4/p-3
InChIKeyYJOAFSRWBZDIQM-UHFFFAOYSA-K
MW482.15 g/mol
LogP-6.35
Rot. Bonds5

About 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride

1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride (PubChem CID 160735156) has the molecular formula C12H21Cl3HfO2 and a molecular weight of 482.15 g/mol. Its IUPAC name is 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride.

Molecular Properties

Compound Name1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride
PubChem CID160735156
Molecular FormulaC12H21Cl3HfO2
Molecular Weight482.15 g/mol
Exact Mass482.01
IUPAC Name1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride
SMILESCCC[c-]1cccc1.COCCOC.[Cl-].[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C8H11.C4H10O2.3ClH.Hf/c1-2-5-8-6-3-4-7-8;1-5-3-4-6-2;;;;/h3-4,6-7H,2,5H2,1H3;3-4H2,1-2H3;3*1H;/q-1;;;;;+4/p-3
InChIKeyYJOAFSRWBZDIQM-UHFFFAOYSA-K
XLogP-6.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.15
LogP ≤ 5-6.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

magnesium;1,2-dimethoxyethane;dichloride
CID 174702876
1,2-dimethoxyethane;nickel(2+);dichloride
CID 22904217
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene
CID 135046538
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
azane;1,2-dimethoxyethane;hydrochloride
CID 175079035
barium(2+);1,2-dimethoxyethane;dibromide
CID 173394585
1,2-dimethoxyethane;niobium;hydrochloride
CID 88933065
ethane;1-methoxypropane;propane
CID 145001283
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride?
The IUPAC name of 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride (CID 160735156) is 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride.
What is the SMILES notation for 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride?
The canonical SMILES for 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride is CCC[c-]1cccc1.COCCOC.[Cl-].[Cl-].[Cl-].[Hf+4].
What is the InChIKey of 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride?
The InChIKey is YJOAFSRWBZDIQM-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H11.C4H10O2.3ClH.Hf/c1-2-5-8-6-3-4-7-8;1-5-3-4-6-2;;;;/h3-4,6-7H,2,5H2,1H3;3-4H2,1-2H3;3*1H;/q-1;;;;;+4/p-3.
What are the key properties of 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride?
1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride has a molecular weight of 482.15 g/mol, XLogP of -6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride is sourced from PubChem (CID 160735156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).