chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane

C28H39ClSi — CID 140664464

IUPACchloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
SMILESCC(C)C1=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2C1[Si](C)(C)Cl
InChIInChI=1S/C28H39ClSi/c1-18(2)24-17-25-22(12-11-13-23(25)26(24)30(9,10)29)19-14-20(27(3,4)5)16-21(15-19)28(6,7)8/h11-18,26H,1-10H3
InChIKeyOHODEYZWMMORAE-UHFFFAOYSA-N
MW439.16 g/mol
LogP9.07
Rot. Bonds3

About chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane

chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane (PubChem CID 140664464) has the molecular formula C28H39ClSi and a molecular weight of 439.16 g/mol. Its IUPAC name is chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namechloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
PubChem CID140664464
Molecular FormulaC28H39ClSi
Molecular Weight439.16 g/mol
Exact Mass438.25
IUPAC Namechloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
SMILESCC(C)C1=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2C1[Si](C)(C)Cl
InChIInChI=1S/C28H39ClSi/c1-18(2)24-17-25-22(12-11-13-23(25)26(24)30(9,10)29)19-14-20(27(3,4)5)16-21(15-19)28(6,7)8/h11-18,26H,1-10H3
InChIKeyOHODEYZWMMORAE-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.16
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane (CID 140664464) is chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane is CC(C)C1=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cccc2C1[Si](C)(C)Cl.
What is the InChIKey of chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
The InChIKey is OHODEYZWMMORAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39ClSi/c1-18(2)24-17-25-22(12-11-13-23(25)26(24)30(9,10)29)19-14-20(27(3,4)5)16-21(15-19)28(6,7)8/h11-18,26H,1-10H3.
What are the key properties of chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane?
chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane has a molecular weight of 439.16 g/mol, XLogP of 9.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[4-(3,5-ditert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 140664464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).