zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride

C9H11Cl2Zn- — CID 172750129

IUPACzinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride
SMILESC1=CCC2CC[CH-]C2=C1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C9H11.2ClH.Zn/c1-2-5-9-7-3-6-8(9)4-1;;;/h1-2,4,6,9H,3,5,7H2;2*1H;/q-1;;;+2/p-2
InChIKeyGGYTUNRJECOTAI-UHFFFAOYSA-L
MW255.48 g/mol
LogP-3.51
Rot. Bonds

About zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride

zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride (PubChem CID 172750129) has the molecular formula C9H11Cl2Zn- and a molecular weight of 255.48 g/mol. Its IUPAC name is zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namezinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride
PubChem CID172750129
Molecular FormulaC9H11Cl2Zn-
Molecular Weight255.48 g/mol
Exact Mass252.95
IUPAC Namezinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride
SMILESC1=CCC2CC[CH-]C2=C1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C9H11.2ClH.Zn/c1-2-5-9-7-3-6-8(9)4-1;;;/h1-2,4,6,9H,3,5,7H2;2*1H;/q-1;;;+2/p-2
InChIKeyGGYTUNRJECOTAI-UHFFFAOYSA-L
XLogP-3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.48
LogP ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);zirconium(4+);dibromide
CID 159694847
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium
CID 173216117
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);ethane;silylidenetitanium;dihydrochloride
CID 173213166
CID 172847750
CID 172847750
2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
CID 151210146
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);1,1-dichloropropan-2-ylidenetitanium(2+)
CID 151071578
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);4-phenylbuta-1,3-dienylbenzene;zirconium(2+)
CID 174403588
CID 172710526
CID 172710526
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride
CID 173283505
2,3,3a,4-tetrahydro-1H-inden-1-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(4+);dichloride
CID 87829048
CID 173097962
CID 173097962
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);bis(dichlorozirconium(2+));ethene;bis(1H-inden-1-ide)
CID 158410981

Frequently Asked Questions

What is the IUPAC name of zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride?
The IUPAC name of zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride (CID 172750129) is zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride.
What is the SMILES notation for zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride?
The canonical SMILES for zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride is C1=CCC2CC[CH-]C2=C1.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride?
The InChIKey is GGYTUNRJECOTAI-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11.2ClH.Zn/c1-2-5-9-7-3-6-8(9)4-1;;;/h1-2,4,6,9H,3,5,7H2;2*1H;/q-1;;;+2/p-2.
What are the key properties of zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride?
zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride has a molecular weight of 255.48 g/mol, XLogP of -3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride is sourced from PubChem (CID 172750129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).