butyl-bis(3-propan-2-ylphenyl)borane

C22H31B — CID 67927512

IUPACbutyl-bis(3-propan-2-ylphenyl)borane
SMILESCCCCB(c1cccc(C(C)C)c1)c1cccc(C(C)C)c1
InChIInChI=1S/C22H31B/c1-6-7-14-23(21-12-8-10-19(15-21)17(2)3)22-13-9-11-20(16-22)18(4)5/h8-13,15-18H,6-7,14H2,1-5H3
InChIKeyYASOHTIJVBWLHZ-UHFFFAOYSA-N
MW306.30 g/mol
LogP5.34
Rot. Bonds7

About butyl-bis(3-propan-2-ylphenyl)borane

butyl-bis(3-propan-2-ylphenyl)borane (PubChem CID 67927512) has the molecular formula C22H31B and a molecular weight of 306.30 g/mol. Its IUPAC name is butyl-bis(3-propan-2-ylphenyl)borane.

Molecular Properties

Compound Namebutyl-bis(3-propan-2-ylphenyl)borane
PubChem CID67927512
Molecular FormulaC22H31B
Molecular Weight306.30 g/mol
Exact Mass306.25
IUPAC Namebutyl-bis(3-propan-2-ylphenyl)borane
SMILESCCCCB(c1cccc(C(C)C)c1)c1cccc(C(C)C)c1
InChIInChI=1S/C22H31B/c1-6-7-14-23(21-12-8-10-19(15-21)17(2)3)22-13-9-11-20(16-22)18(4)5/h8-13,15-18H,6-7,14H2,1-5H3
InChIKeyYASOHTIJVBWLHZ-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.30
LogP ≤ 55.34
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

3-chloroprop-2-enyl-bis(3-propan-2-ylphenyl)borane
CID 88514879
1-butylsulfonyl-3-propan-2-ylbenzene
CID 126760572
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984
(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride
CID 171231590
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
2-methylbut-1-enyl-bis(3-propan-2-ylphenyl)borane
CID 67927804
1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423
N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
3-propan-2-ylphenolate
CID 101030156
ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane
CID 142264931
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium
CID 174730774

Frequently Asked Questions

What is the IUPAC name of butyl-bis(3-propan-2-ylphenyl)borane?
The IUPAC name of butyl-bis(3-propan-2-ylphenyl)borane (CID 67927512) is butyl-bis(3-propan-2-ylphenyl)borane.
What is the SMILES notation for butyl-bis(3-propan-2-ylphenyl)borane?
The canonical SMILES for butyl-bis(3-propan-2-ylphenyl)borane is CCCCB(c1cccc(C(C)C)c1)c1cccc(C(C)C)c1.
What is the InChIKey of butyl-bis(3-propan-2-ylphenyl)borane?
The InChIKey is YASOHTIJVBWLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31B/c1-6-7-14-23(21-12-8-10-19(15-21)17(2)3)22-13-9-11-20(16-22)18(4)5/h8-13,15-18H,6-7,14H2,1-5H3.
What are the key properties of butyl-bis(3-propan-2-ylphenyl)borane?
butyl-bis(3-propan-2-ylphenyl)borane has a molecular weight of 306.30 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-bis(3-propan-2-ylphenyl)borane is sourced from PubChem (CID 67927512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).