9-hex-5-enyl-9-borabicyclo[3.3.1]nonane

C14H25B — CID 577399

IUPAC9-hex-5-enyl-9-borabicyclo[3.3.1]nonane
SMILESC=CCCCCB1C2CCCC1CCC2
InChIInChI=1S/C14H25B/c1-2-3-4-5-12-15-13-8-6-9-14(15)11-7-10-13/h2,13-14H,1,3-12H2
InChIKeyRWIBZYHNPBTTRN-UHFFFAOYSA-N
MW204.17 g/mol
LogP4.95
Rot. Bonds5

About 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane

9-hex-5-enyl-9-borabicyclo[3.3.1]nonane (PubChem CID 577399) has the molecular formula C14H25B and a molecular weight of 204.17 g/mol. Its IUPAC name is 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-hex-5-enyl-9-borabicyclo[3.3.1]nonane
PubChem CID577399
Molecular FormulaC14H25B
Molecular Weight204.17 g/mol
Exact Mass204.20
IUPAC Name9-hex-5-enyl-9-borabicyclo[3.3.1]nonane
SMILESC=CCCCCB1C2CCCC1CCC2
InChIInChI=1S/C14H25B/c1-2-3-4-5-12-15-13-8-6-9-14(15)11-7-10-13/h2,13-14H,1,3-12H2
InChIKeyRWIBZYHNPBTTRN-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 54.95
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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Related Compounds

9-pent-4-enyl-9-borabicyclo[3.3.1]nonane
CID 68718251
9-(5-bromopentyl)-9-borabicyclo[3.3.1]nonane
CID 11173283
hex-5-enylcyclopentane
CID 20565123
CID 20591149
CID 20591149
2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide
CID 134963998
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
N-hept-6-enylcyclobutanamine
CID 107006782
methyl 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentanoate
CID 101226405
2,6-bis(pent-4-enyl)piperidine
CID 592267
(2S,6R)-2,6-bis(pent-4-enyl)piperidine
CID 14680292
9-prop-2-enoxy-9-borabicyclo[3.3.1]nonane
CID 534879

Frequently Asked Questions

What is the IUPAC name of 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane?
The IUPAC name of 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane (CID 577399) is 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane?
The canonical SMILES for 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane is C=CCCCCB1C2CCCC1CCC2.
What is the InChIKey of 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane?
The InChIKey is RWIBZYHNPBTTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25B/c1-2-3-4-5-12-15-13-8-6-9-14(15)11-7-10-13/h2,13-14H,1,3-12H2.
What are the key properties of 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane?
9-hex-5-enyl-9-borabicyclo[3.3.1]nonane has a molecular weight of 204.17 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hex-5-enyl-9-borabicyclo[3.3.1]nonane is sourced from PubChem (CID 577399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).