9-pent-4-enyl-9-borabicyclo[3.3.1]nonane

C13H23B — CID 68718251

IUPAC9-pent-4-enyl-9-borabicyclo[3.3.1]nonane
SMILESC=CCCCB1C2CCCC1CCC2
InChIInChI=1S/C13H23B/c1-2-3-4-11-14-12-7-5-8-13(14)10-6-9-12/h2,12-13H,1,3-11H2
InChIKeyLDRCFUXBCYWWFK-UHFFFAOYSA-N
MW190.14 g/mol
LogP4.56
Rot. Bonds4

About 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane

9-pent-4-enyl-9-borabicyclo[3.3.1]nonane (PubChem CID 68718251) has the molecular formula C13H23B and a molecular weight of 190.14 g/mol. Its IUPAC name is 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-pent-4-enyl-9-borabicyclo[3.3.1]nonane
PubChem CID68718251
Molecular FormulaC13H23B
Molecular Weight190.14 g/mol
Exact Mass190.19
IUPAC Name9-pent-4-enyl-9-borabicyclo[3.3.1]nonane
SMILESC=CCCCB1C2CCCC1CCC2
InChIInChI=1S/C13H23B/c1-2-3-4-11-14-12-7-5-8-13(14)10-6-9-12/h2,12-13H,1,3-11H2
InChIKeyLDRCFUXBCYWWFK-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 54.56
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane?
The IUPAC name of 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane (CID 68718251) is 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane?
The canonical SMILES for 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane is C=CCCCB1C2CCCC1CCC2.
What is the InChIKey of 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane?
The InChIKey is LDRCFUXBCYWWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23B/c1-2-3-4-11-14-12-7-5-8-13(14)10-6-9-12/h2,12-13H,1,3-11H2.
What are the key properties of 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane?
9-pent-4-enyl-9-borabicyclo[3.3.1]nonane has a molecular weight of 190.14 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pent-4-enyl-9-borabicyclo[3.3.1]nonane is sourced from PubChem (CID 68718251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).