dibutyl-[1-(4-chlorophenyl)pentyl]borane

C19H32BCl — CID 10267184

IUPACdibutyl-[1-(4-chlorophenyl)pentyl]borane
SMILESCCCCB(CCCC)C(CCCC)c1ccc(Cl)cc1
InChIInChI=1S/C19H32BCl/c1-4-7-10-19(17-11-13-18(21)14-12-17)20(15-8-5-2)16-9-6-3/h11-14,19H,4-10,15-16H2,1-3H3
InChIKeyMCPMOSMHFWWOJS-UHFFFAOYSA-N
MW306.73 g/mol
LogP7.25
Rot. Bonds11

About dibutyl-[1-(4-chlorophenyl)pentyl]borane

dibutyl-[1-(4-chlorophenyl)pentyl]borane (PubChem CID 10267184) has the molecular formula C19H32BCl and a molecular weight of 306.73 g/mol. Its IUPAC name is dibutyl-[1-(4-chlorophenyl)pentyl]borane.

Molecular Properties

Compound Namedibutyl-[1-(4-chlorophenyl)pentyl]borane
PubChem CID10267184
Molecular FormulaC19H32BCl
Molecular Weight306.73 g/mol
Exact Mass306.23
IUPAC Namedibutyl-[1-(4-chlorophenyl)pentyl]borane
SMILESCCCCB(CCCC)C(CCCC)c1ccc(Cl)cc1
InChIInChI=1S/C19H32BCl/c1-4-7-10-19(17-11-13-18(21)14-12-17)20(15-8-5-2)16-9-6-3/h11-14,19H,4-10,15-16H2,1-3H3
InChIKeyMCPMOSMHFWWOJS-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.73
LogP ≤ 57.25
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

1-chloro-2-(4-chlorophenyl)hexan-1-amine
CID 70590029
1-chloro-4-[4-(1-chloropentyl)phenyl]benzene
CID 22760341
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
N-[1-(4-chlorophenyl)pentyl]acetamide
CID 23652178
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
1-(4-chlorophenyl)heptane-1-thiol
CID 173233874
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
N-[2-(4-chlorophenyl)hexyl]cyclopropanamine
CID 79437438
(E)-1-(4-chlorophenyl)non-2-en-1-ol
CID 11184335
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
CID 81352954

Frequently Asked Questions

What is the IUPAC name of dibutyl-[1-(4-chlorophenyl)pentyl]borane?
The IUPAC name of dibutyl-[1-(4-chlorophenyl)pentyl]borane (CID 10267184) is dibutyl-[1-(4-chlorophenyl)pentyl]borane.
What is the SMILES notation for dibutyl-[1-(4-chlorophenyl)pentyl]borane?
The canonical SMILES for dibutyl-[1-(4-chlorophenyl)pentyl]borane is CCCCB(CCCC)C(CCCC)c1ccc(Cl)cc1.
What is the InChIKey of dibutyl-[1-(4-chlorophenyl)pentyl]borane?
The InChIKey is MCPMOSMHFWWOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BCl/c1-4-7-10-19(17-11-13-18(21)14-12-17)20(15-8-5-2)16-9-6-3/h11-14,19H,4-10,15-16H2,1-3H3.
What are the key properties of dibutyl-[1-(4-chlorophenyl)pentyl]borane?
dibutyl-[1-(4-chlorophenyl)pentyl]borane has a molecular weight of 306.73 g/mol, XLogP of 7.25, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[1-(4-chlorophenyl)pentyl]borane is sourced from PubChem (CID 10267184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).