butyl-bis(3-methylbutan-2-yl)borane

C14H31B — CID 86225483

IUPACbutyl-bis(3-methylbutan-2-yl)borane
SMILESCCCCB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C14H31B/c1-8-9-10-15(13(6)11(2)3)14(7)12(4)5/h11-14H,8-10H2,1-7H3
InChIKeyHQBBHBFYCQXJKE-UHFFFAOYSA-N
MW210.21 g/mol
LogP5.37
Rot. Bonds7

About butyl-bis(3-methylbutan-2-yl)borane

butyl-bis(3-methylbutan-2-yl)borane (PubChem CID 86225483) has the molecular formula C14H31B and a molecular weight of 210.21 g/mol. Its IUPAC name is butyl-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Namebutyl-bis(3-methylbutan-2-yl)borane
PubChem CID86225483
Molecular FormulaC14H31B
Molecular Weight210.21 g/mol
Exact Mass210.25
IUPAC Namebutyl-bis(3-methylbutan-2-yl)borane
SMILESCCCCB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C14H31B/c1-8-9-10-15(13(6)11(2)3)14(7)12(4)5/h11-14H,8-10H2,1-7H3
InChIKeyHQBBHBFYCQXJKE-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.21
LogP ≤ 55.37
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 butyl-bis(3-methylbutan-2-yl)borane?
The IUPAC name of butyl-bis(3-methylbutan-2-yl)borane (CID 86225483) is butyl-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for butyl-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for butyl-bis(3-methylbutan-2-yl)borane is CCCCB(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of butyl-bis(3-methylbutan-2-yl)borane?
The InChIKey is HQBBHBFYCQXJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31B/c1-8-9-10-15(13(6)11(2)3)14(7)12(4)5/h11-14H,8-10H2,1-7H3.
What are the key properties of butyl-bis(3-methylbutan-2-yl)borane?
butyl-bis(3-methylbutan-2-yl)borane has a molecular weight of 210.21 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 86225483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).