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

C10H18BBr — CID 125480410

IUPAC1-bromo-4,5-dipropyl-2,3-dihydroborole
SMILESCCCC1=C(CCC)B(Br)CC1
InChIInChI=1S/C10H18BBr/c1-3-5-9-7-8-11(12)10(9)6-4-2/h3-8H2,1-2H3
InChIKeyDXHWFWAVYHBNAQ-UHFFFAOYSA-N
MW228.97 g/mol
LogP4.21
Rot. Bonds4

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

1-bromo-4,5-dipropyl-2,3-dihydroborole (PubChem CID 125480410) has the molecular formula C10H18BBr and a molecular weight of 228.97 g/mol. Its IUPAC name is 1-bromo-4,5-dipropyl-2,3-dihydroborole.

Molecular Properties

Compound Name1-bromo-4,5-dipropyl-2,3-dihydroborole
PubChem CID125480410
Molecular FormulaC10H18BBr
Molecular Weight228.97 g/mol
Exact Mass228.07
IUPAC Name1-bromo-4,5-dipropyl-2,3-dihydroborole
SMILESCCCC1=C(CCC)B(Br)CC1
InChIInChI=1S/C10H18BBr/c1-3-5-9-7-8-11(12)10(9)6-4-2/h3-8H2,1-2H3
InChIKeyDXHWFWAVYHBNAQ-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.97
LogP ≤ 54.21
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 102100274
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trimethyl-(2-propylcyclopenten-1-yl)phosphanium
CID 91481874
(3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene
CID 101214135
1-methyl-2-propylcyclohexa-1,4-diene
CID 165065893
3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine
CID 123574366
3-propyl-1,2-dihydropyrazolo[1,5-a]pyridine
CID 135158445
3,3-dichloro-1,2-dipropylcyclopropene
CID 134877644
(1Z)-1,2-dipentylcyclononene
CID 134981785
1,2-dihexylcyclohexene
CID 19795043
2-propyl-1,4,5,6,7,8-hexahydropyrido[3,4-d]pyrimidine
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6-propyl-1,2-dihydro-1,3,5-triazine
CID 176533065

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4,5-dipropyl-2,3-dihydroborole?
The IUPAC name of 1-bromo-4,5-dipropyl-2,3-dihydroborole (CID 125480410) is 1-bromo-4,5-dipropyl-2,3-dihydroborole.
What is the SMILES notation for 1-bromo-4,5-dipropyl-2,3-dihydroborole?
The canonical SMILES for 1-bromo-4,5-dipropyl-2,3-dihydroborole is CCCC1=C(CCC)B(Br)CC1.
What is the InChIKey of 1-bromo-4,5-dipropyl-2,3-dihydroborole?
The InChIKey is DXHWFWAVYHBNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BBr/c1-3-5-9-7-8-11(12)10(9)6-4-2/h3-8H2,1-2H3.
What are the key properties of 1-bromo-4,5-dipropyl-2,3-dihydroborole?
1-bromo-4,5-dipropyl-2,3-dihydroborole has a molecular weight of 228.97 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,5-dipropyl-2,3-dihydroborole is sourced from PubChem (CID 125480410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).