1-chloro-4,5-dipropyl-2,3-dihydroborole

C10H18BCl — CID 125480448

IUPAC1-chloro-4,5-dipropyl-2,3-dihydroborole
SMILESCCCC1=C(CCC)B(Cl)CC1
InChIInChI=1S/C10H18BCl/c1-3-5-9-7-8-11(12)10(9)6-4-2/h3-8H2,1-2H3
InChIKeyBOAOOGZMPYFIJO-UHFFFAOYSA-N
MW184.52 g/mol
LogP4.06
Rot. Bonds4

About 1-chloro-4,5-dipropyl-2,3-dihydroborole

1-chloro-4,5-dipropyl-2,3-dihydroborole (PubChem CID 125480448) has the molecular formula C10H18BCl and a molecular weight of 184.52 g/mol. Its IUPAC name is 1-chloro-4,5-dipropyl-2,3-dihydroborole.

Molecular Properties

Compound Name1-chloro-4,5-dipropyl-2,3-dihydroborole
PubChem CID125480448
Molecular FormulaC10H18BCl
Molecular Weight184.52 g/mol
Exact Mass184.12
IUPAC Name1-chloro-4,5-dipropyl-2,3-dihydroborole
SMILESCCCC1=C(CCC)B(Cl)CC1
InChIInChI=1S/C10H18BCl/c1-3-5-9-7-8-11(12)10(9)6-4-2/h3-8H2,1-2H3
InChIKeyBOAOOGZMPYFIJO-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.52
LogP ≤ 54.06
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 1-chloro-4,5-dipropyl-2,3-dihydroborole?
The IUPAC name of 1-chloro-4,5-dipropyl-2,3-dihydroborole (CID 125480448) is 1-chloro-4,5-dipropyl-2,3-dihydroborole.
What is the SMILES notation for 1-chloro-4,5-dipropyl-2,3-dihydroborole?
The canonical SMILES for 1-chloro-4,5-dipropyl-2,3-dihydroborole is CCCC1=C(CCC)B(Cl)CC1.
What is the InChIKey of 1-chloro-4,5-dipropyl-2,3-dihydroborole?
The InChIKey is BOAOOGZMPYFIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BCl/c1-3-5-9-7-8-11(12)10(9)6-4-2/h3-8H2,1-2H3.
What are the key properties of 1-chloro-4,5-dipropyl-2,3-dihydroborole?
1-chloro-4,5-dipropyl-2,3-dihydroborole has a molecular weight of 184.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,5-dipropyl-2,3-dihydroborole is sourced from PubChem (CID 125480448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).