dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride

C30H26Cl2HfSi — CID 22325440

IUPACdimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride
SMILESCc1[cH-]c2ccc3ccccc3c2c1[Si](C)(C)c1c(C)[cH-]c2ccc3ccccc3c12.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C30H26Si.2ClH.Hf/c1-19-17-23-15-13-21-9-5-7-11-25(21)27(23)29(19)31(3,4)30-20(2)18-24-16-14-22-10-6-8-12-26(22)28(24)30;;;/h5-18H,1-4H3;2*1H;/q-2;;;+4/p-2
InChIKeyODMGIJQDLNRCIK-UHFFFAOYSA-L
MW664.02 g/mol
LogP1.18
Rot. Bonds2

About dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride

dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride (PubChem CID 22325440) has the molecular formula C30H26Cl2HfSi and a molecular weight of 664.02 g/mol. Its IUPAC name is dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride.

Molecular Properties

Compound Namedimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride
PubChem CID22325440
Molecular FormulaC30H26Cl2HfSi
Molecular Weight664.02 g/mol
Exact Mass664.06
IUPAC Namedimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride
SMILESCc1[cH-]c2ccc3ccccc3c2c1[Si](C)(C)c1c(C)[cH-]c2ccc3ccccc3c12.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C30H26Si.2ClH.Hf/c1-19-17-23-15-13-21-9-5-7-11-25(21)27(23)29(19)31(3,4)30-20(2)18-24-16-14-22-10-6-8-12-26(22)28(24)30;;;/h5-18H,1-4H3;2*1H;/q-2;;;+4/p-2
InChIKeyODMGIJQDLNRCIK-UHFFFAOYSA-L
XLogP1.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.02
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride?
The IUPAC name of dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride (CID 22325440) is dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride.
What is the SMILES notation for dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride?
The canonical SMILES for dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride is Cc1[cH-]c2ccc3ccccc3c2c1[Si](C)(C)c1c(C)[cH-]c2ccc3ccccc3c12.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride?
The InChIKey is ODMGIJQDLNRCIK-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H26Si.2ClH.Hf/c1-19-17-23-15-13-21-9-5-7-11-25(21)27(23)29(19)31(3,4)30-20(2)18-24-16-14-22-10-6-8-12-26(22)28(24)30;;;/h5-18H,1-4H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride?
dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride has a molecular weight of 664.02 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride is sourced from PubChem (CID 22325440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).