2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane

C11H21B — CID 58343701

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane
SMILESCB(C)C1CCC2CCCC2C1
InChIInChI=1S/C11H21B/c1-12(2)11-7-6-9-4-3-5-10(9)8-11/h9-11H,3-8H2,1-2H3
InChIKeyDIFKWSWYIZJVHU-UHFFFAOYSA-N
MW164.10 g/mol
LogP3.71
Rot. Bonds1

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane (PubChem CID 58343701) has the molecular formula C11H21B and a molecular weight of 164.10 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane
PubChem CID58343701
Molecular FormulaC11H21B
Molecular Weight164.10 g/mol
Exact Mass164.17
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane
SMILESCB(C)C1CCC2CCCC2C1
InChIInChI=1S/C11H21B/c1-12(2)11-7-6-9-4-3-5-10(9)8-11/h9-11H,3-8H2,1-2H3
InChIKeyDIFKWSWYIZJVHU-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 53.71
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 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
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tricyclo[4.3.1.12,5]undecane
CID 13070377
(1R,5R)-bicyclo[3.2.0]heptane
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tricyclo[11.3.0.05,9]hexadecane
CID 154595560
1-(3-cyclooctylcyclopentyl)-5-methylcyclooctane
CID 162472459
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane (CID 58343701) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane is CB(C)C1CCC2CCCC2C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane?
The InChIKey is DIFKWSWYIZJVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21B/c1-12(2)11-7-6-9-4-3-5-10(9)8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane has a molecular weight of 164.10 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane is sourced from PubChem (CID 58343701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).