carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C33H64Cl2Zr — CID 162292699

IUPACcarbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC1C(C)CC2C(C)C(C)C(C)C(C)C12.CCC1C(C)CC2C(C)C(C)C(C)CC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C16H30.C15H28.2CH3.2ClH.Zr/c1-7-14-9(2)8-15-12(5)10(3)11(4)13(6)16(14)15;1-6-13-10(3)8-14-12(5)11(4)9(2)7-15(13)14;;;;;/h9-16H,7-8H2,1-6H3;9-15H,6-8H2,1-5H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyQFQMJWDCRHPDRO-UHFFFAOYSA-L
MW623.01 g/mol
LogP11.72
Rot. Bonds2

About carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 162292699) has the molecular formula C33H64Cl2Zr and a molecular weight of 623.01 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Namecarbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID162292699
Molecular FormulaC33H64Cl2Zr
Molecular Weight623.01 g/mol
Exact Mass620.34
IUPAC Namecarbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCC1C(C)CC2C(C)C(C)C(C)C(C)C12.CCC1C(C)CC2C(C)C(C)C(C)CC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C16H30.C15H28.2CH3.2ClH.Zr/c1-7-14-9(2)8-15-12(5)10(3)11(4)13(6)16(14)15;1-6-13-10(3)8-14-12(5)11(4)9(2)7-15(13)14;;;;;/h9-16H,7-8H2,1-6H3;9-15H,6-8H2,1-5H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
InChIKeyQFQMJWDCRHPDRO-UHFFFAOYSA-L
XLogP11.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.01
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 162292699) is carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCC1C(C)CC2C(C)C(C)C(C)C(C)C12.CCC1C(C)CC2C(C)C(C)C(C)CC12.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is QFQMJWDCRHPDRO-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H30.C15H28.2CH3.2ClH.Zr/c1-7-14-9(2)8-15-12(5)10(3)11(4)13(6)16(14)15;1-6-13-10(3)8-14-12(5)11(4)9(2)7-15(13)14;;;;;/h9-16H,7-8H2,1-6H3;9-15H,6-8H2,1-5H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2.
What are the key properties of carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 623.01 g/mol, XLogP of 11.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorozirconium(2+);1-ethyl-2,4,5,6,7-pentamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-ethyl-2,4,5,6-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 162292699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).