ethane;3H-inden-1-yl(dimethyl)borane

C13H19B — CID 90749071

IUPACethane;3H-inden-1-yl(dimethyl)borane
SMILESCB(C)C1=CCc2ccccc21.CC
InChIInChI=1S/C11H13B.C2H6/c1-12(2)11-8-7-9-5-3-4-6-10(9)11;1-2/h3-6,8H,7H2,1-2H3;1-2H3
InChIKeyXZHQMDLRZPZIDN-UHFFFAOYSA-N
MW186.11 g/mol
LogP3.95
Rot. Bonds1

About ethane;3H-inden-1-yl(dimethyl)borane

ethane;3H-inden-1-yl(dimethyl)borane (PubChem CID 90749071) has the molecular formula C13H19B and a molecular weight of 186.11 g/mol. Its IUPAC name is ethane;3H-inden-1-yl(dimethyl)borane.

Molecular Properties

Compound Nameethane;3H-inden-1-yl(dimethyl)borane
PubChem CID90749071
Molecular FormulaC13H19B
Molecular Weight186.11 g/mol
Exact Mass186.16
IUPAC Nameethane;3H-inden-1-yl(dimethyl)borane
SMILESCB(C)C1=CCc2ccccc21.CC
InChIInChI=1S/C11H13B.C2H6/c1-12(2)11-8-7-9-5-3-4-6-10(9)11;1-2/h3-6,8H,7H2,1-2H3;1-2H3
InChIKeyXZHQMDLRZPZIDN-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.11
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 90920725
N-[[di(propan-2-yl)amino]-(3H-inden-1-yl)boranyl]aniline
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dichlorozirconium;3-propyl-1H-indene
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ethane;methane;3-methylsulfonyl-1H-indene
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CID 18314663
CID 18314663
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CID 162444181
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CID 23559641
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Frequently Asked Questions

What is the IUPAC name of ethane;3H-inden-1-yl(dimethyl)borane?
The IUPAC name of ethane;3H-inden-1-yl(dimethyl)borane (CID 90749071) is ethane;3H-inden-1-yl(dimethyl)borane.
What is the SMILES notation for ethane;3H-inden-1-yl(dimethyl)borane?
The canonical SMILES for ethane;3H-inden-1-yl(dimethyl)borane is CB(C)C1=CCc2ccccc21.CC.
What is the InChIKey of ethane;3H-inden-1-yl(dimethyl)borane?
The InChIKey is XZHQMDLRZPZIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13B.C2H6/c1-12(2)11-8-7-9-5-3-4-6-10(9)11;1-2/h3-6,8H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;3H-inden-1-yl(dimethyl)borane?
ethane;3H-inden-1-yl(dimethyl)borane has a molecular weight of 186.11 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3H-inden-1-yl(dimethyl)borane is sourced from PubChem (CID 90749071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).