carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)

C22H38Cl2Zr — CID 162291629

IUPACcarbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)
SMILESCCCC1CC(C(C)(C)C2CCCC2)C2C=CC=CC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H32.2CH3.2ClH.Zr/c1-4-9-15-14-19(18-13-8-7-12-17(15)18)20(2,3)16-10-5-6-11-16;;;;;/h7-8,12-13,15-19H,4-6,9-11,14H2,1-3H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyKKZOZQAMYCSERZ-UHFFFAOYSA-L
MW464.68 g/mol
LogP8.27
Rot. Bonds4

About carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)

carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+) (PubChem CID 162291629) has the molecular formula C22H38Cl2Zr and a molecular weight of 464.68 g/mol. Its IUPAC name is carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+).

Molecular Properties

Compound Namecarbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)
PubChem CID162291629
Molecular FormulaC22H38Cl2Zr
Molecular Weight464.68 g/mol
Exact Mass462.14
IUPAC Namecarbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)
SMILESCCCC1CC(C(C)(C)C2CCCC2)C2C=CC=CC12.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C20H32.2CH3.2ClH.Zr/c1-4-9-15-14-19(18-13-8-7-12-17(15)18)20(2,3)16-10-5-6-11-16;;;;;/h7-8,12-13,15-19H,4-6,9-11,14H2,1-3H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyKKZOZQAMYCSERZ-UHFFFAOYSA-L
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.68
LogP ≤ 58.27
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

carbanide;9-(2-cyclopentylpropan-2-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene;dichlorozirconium(2+);ethane
CID 162282790
carbanide;octakis(dichlorozirconium(2+));bis(1-prop-2-enyl-3-[4-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene);bis(1-prop-2-enyl-3-[5-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)nonan-5-yl]-2,3,3a,7a-tetrahydro-1H-indene);bis(1-prop-2-enyl-3-[3-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentan-3-yl]-2,3,3a,7a-tetrahydro-1H-indene);bis(1-prop-2-enyl-3-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,7a-tetrahydro-1H-indene)
CID 162277374
1-butyl-3-(2-cyclopentylethyl)-2,3,3a,7a-tetrahydro-1H-indene
CID 162270743
1-(3-cyclopentylpentan-3-yl)-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
CID 59622509
carbanide;dichlorozirconium(2+);dimethyl-bis[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
CID 162279932
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
(1R)-2-propylcyclohexan-1-ol
CID 144627240
butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)
CID 162291172
9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))
CID 162276874
1-(1,1-difluoroethyl)-2-propylcyclopropane
CID 90058310
2-(2-bromo-4-methylcyclohexyl)propan-2-ylcycloheptane
CID 82924227
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)?
The IUPAC name of carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+) (CID 162291629) is carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+).
What is the SMILES notation for carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)?
The canonical SMILES for carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+) is CCCC1CC(C(C)(C)C2CCCC2)C2C=CC=CC12.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)?
The InChIKey is KKZOZQAMYCSERZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H32.2CH3.2ClH.Zr/c1-4-9-15-14-19(18-13-8-7-12-17(15)18)20(2,3)16-10-5-6-11-16;;;;;/h7-8,12-13,15-19H,4-6,9-11,14H2,1-3H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+)?
carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+) has a molecular weight of 464.68 g/mol, XLogP of 8.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(2-cyclopentylpropan-2-yl)-3-propyl-2,3,3a,7a-tetrahydro-1H-indene;dichlorozirconium(2+) is sourced from PubChem (CID 162291629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).