4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium

C14H24OP+ — CID 166862872

IUPAC4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium
SMILESCC(C)[P+](=O)CCCCC1CC2C=CC1C2
InChIInChI=1S/C14H24OP/c1-11(2)16(15)8-4-3-5-13-9-12-6-7-14(13)10-12/h6-7,11-14H,3-5,8-10H2,1-2H3/q+1
InChIKeyJPQMODHORMQPDD-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.60
Rot. Bonds6

About 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium

4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium (PubChem CID 166862872) has the molecular formula C14H24OP+ and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium
PubChem CID166862872
Molecular FormulaC14H24OP+
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium
SMILESCC(C)[P+](=O)CCCCC1CC2C=CC1C2
InChIInChI=1S/C14H24OP/c1-11(2)16(15)8-4-3-5-13-9-12-6-7-14(13)10-12/h6-7,11-14H,3-5,8-10H2,1-2H3/q+1
InChIKeyJPQMODHORMQPDD-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
5-[10-(2-bicyclo[2.2.1]hept-5-enyl)-3,8-dimethyldecyl]bicyclo[2.2.1]hept-2-ene
CID 140644902
10-(2-bicyclo[2.2.1]hept-5-enyl)decan-2-one
CID 59748068
8-(2-bicyclo[2.2.1]hept-5-enyl)-2-methyl-3-propan-2-yloctan-3-ol
CID 18413318
8-(2-bicyclo[2.2.1]hept-5-enyl)octanal
CID 59748238
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
CID 160577628

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium?
The IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium (CID 166862872) is 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium?
The canonical SMILES for 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium is CC(C)[P+](=O)CCCCC1CC2C=CC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium?
The InChIKey is JPQMODHORMQPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OP/c1-11(2)16(15)8-4-3-5-13-9-12-6-7-14(13)10-12/h6-7,11-14H,3-5,8-10H2,1-2H3/q+1.
What are the key properties of 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium?
4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium has a molecular weight of 239.32 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-oxo-propan-2-ylphosphanium is sourced from PubChem (CID 166862872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).