hex-1-enyl-bis(3-methylbutan-2-yl)borane

C16H33B — CID 71364285

IUPAChex-1-enyl-bis(3-methylbutan-2-yl)borane
SMILESCCCCC=CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H33B/c1-8-9-10-11-12-17(15(6)13(2)3)16(7)14(4)5/h11-16H,8-10H2,1-7H3
InChIKeyCWUQHJRQHOYUCO-UHFFFAOYSA-N
MW236.25 g/mol
LogP5.86
Rot. Bonds8

About hex-1-enyl-bis(3-methylbutan-2-yl)borane

hex-1-enyl-bis(3-methylbutan-2-yl)borane (PubChem CID 71364285) has the molecular formula C16H33B and a molecular weight of 236.25 g/mol. Its IUPAC name is hex-1-enyl-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Namehex-1-enyl-bis(3-methylbutan-2-yl)borane
PubChem CID71364285
Molecular FormulaC16H33B
Molecular Weight236.25 g/mol
Exact Mass236.27
IUPAC Namehex-1-enyl-bis(3-methylbutan-2-yl)borane
SMILESCCCCC=CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H33B/c1-8-9-10-11-12-17(15(6)13(2)3)16(7)14(4)5/h11-16H,8-10H2,1-7H3
InChIKeyCWUQHJRQHOYUCO-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.25
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-1-enyl-bis(3-methylbutan-2-yl)borane?
The IUPAC name of hex-1-enyl-bis(3-methylbutan-2-yl)borane (CID 71364285) is hex-1-enyl-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for hex-1-enyl-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for hex-1-enyl-bis(3-methylbutan-2-yl)borane is CCCCC=CB(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of hex-1-enyl-bis(3-methylbutan-2-yl)borane?
The InChIKey is CWUQHJRQHOYUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33B/c1-8-9-10-11-12-17(15(6)13(2)3)16(7)14(4)5/h11-16H,8-10H2,1-7H3.
What are the key properties of hex-1-enyl-bis(3-methylbutan-2-yl)borane?
hex-1-enyl-bis(3-methylbutan-2-yl)borane has a molecular weight of 236.25 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-enyl-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 71364285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).