(2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane

C13H27B — CID 174139245

IUPAC(2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane
SMILESCCCC1CC(C)(B(C)C)C1(C)CC
InChIInChI=1S/C13H27B/c1-7-9-11-10-13(4,14(5)6)12(11,3)8-2/h11H,7-10H2,1-6H3
InChIKeyAGIKNLLKEBTQLX-UHFFFAOYSA-N
MW194.17 g/mol
LogP4.74
Rot. Bonds4

About (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane

(2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane (PubChem CID 174139245) has the molecular formula C13H27B and a molecular weight of 194.17 g/mol. Its IUPAC name is (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane.

Molecular Properties

Compound Name(2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane
PubChem CID174139245
Molecular FormulaC13H27B
Molecular Weight194.17 g/mol
Exact Mass194.22
IUPAC Name(2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane
SMILESCCCC1CC(C)(B(C)C)C1(C)CC
InChIInChI=1S/C13H27B/c1-7-9-11-10-13(4,14(5)6)12(11,3)8-2/h11H,7-10H2,1-6H3
InChIKeyAGIKNLLKEBTQLX-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane?
The IUPAC name of (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane (CID 174139245) is (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane.
What is the SMILES notation for (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane?
The canonical SMILES for (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane is CCCC1CC(C)(B(C)C)C1(C)CC.
What is the InChIKey of (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane?
The InChIKey is AGIKNLLKEBTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27B/c1-7-9-11-10-13(4,14(5)6)12(11,3)8-2/h11H,7-10H2,1-6H3.
What are the key properties of (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane?
(2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane has a molecular weight of 194.17 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,2-dimethyl-3-propylcyclobutyl)-dimethylborane is sourced from PubChem (CID 174139245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).