1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane

C19H37P — CID 23105437

IUPAC1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane
SMILESCCCCCCP(CCCCCC)C12CCC(CC1)C2
InChIInChI=1S/C19H37P/c1-3-5-7-9-15-20(16-10-8-6-4-2)19-13-11-18(17-19)12-14-19/h18H,3-17H2,1-2H3
InChIKeyOYGYHWLOURNEHR-UHFFFAOYSA-N
MW296.48 g/mol
LogP6.96
Rot. Bonds11

About 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane

1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane (PubChem CID 23105437) has the molecular formula C19H37P and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane
PubChem CID23105437
Molecular FormulaC19H37P
Molecular Weight296.48 g/mol
Exact Mass296.26
IUPAC Name1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane
SMILESCCCCCCP(CCCCCC)C12CCC(CC1)C2
InChIInChI=1S/C19H37P/c1-3-5-7-9-15-20(16-10-8-6-4-2)19-13-11-18(17-19)12-14-19/h18H,3-17H2,1-2H3
InChIKeyOYGYHWLOURNEHR-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.48
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(1-adamantyl)-butylphosphane;hydrobromide
CID 153370159
chloro-hexyl-tetradecylphosphane
CID 141135276
di(cyclobutyl)-octylphosphane
CID 151646814
1-pentylbicyclo[2.2.2]octane
CID 13184608
octacosane;sulfane
CID 157204687
heptane;platinum
CID 160745252
bicyclo[2.2.1]heptane;heptane
CID 161465006
cyclohexyl(diheptyl)phosphane
CID 118892787
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dihexyl-(2-oxo-1-bicyclo[2.2.1]heptanyl)sulfanium
CID 59999966
diheptyl(propan-2-yl)phosphane
CID 22497662

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane (CID 23105437) is 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane is CCCCCCP(CCCCCC)C12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane?
The InChIKey is OYGYHWLOURNEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37P/c1-3-5-7-9-15-20(16-10-8-6-4-2)19-13-11-18(17-19)12-14-19/h18H,3-17H2,1-2H3.
What are the key properties of 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane?
1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane has a molecular weight of 296.48 g/mol, XLogP of 6.96, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl(dihexyl)phosphane is sourced from PubChem (CID 23105437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).