bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane

C18H31P — CID 54423756

IUPACbis(2-bicyclo[2.2.1]heptanyl)-butylphosphane
SMILESCCCCP(C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C18H31P/c1-2-3-8-19(17-11-13-4-6-15(17)9-13)18-12-14-5-7-16(18)10-14/h13-18H,2-12H2,1H3
InChIKeyWCPOJIWWQLALOD-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.65
Rot. Bonds5

About bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane

bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane (PubChem CID 54423756) has the molecular formula C18H31P and a molecular weight of 278.42 g/mol. Its IUPAC name is bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane.

Molecular Properties

Compound Namebis(2-bicyclo[2.2.1]heptanyl)-butylphosphane
PubChem CID54423756
Molecular FormulaC18H31P
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Namebis(2-bicyclo[2.2.1]heptanyl)-butylphosphane
SMILESCCCCP(C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C18H31P/c1-2-3-8-19(17-11-13-4-6-15(17)9-13)18-12-14-5-7-16(18)10-14/h13-18H,2-12H2,1H3
InChIKeyWCPOJIWWQLALOD-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane
CID 66992372
bis(2-bicyclo[2.2.1]heptanyl)-octylphosphane
CID 66992605
2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane
CID 66992611
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane
CID 124674169
[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane
CID 131858461
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-hexoxybicyclo[2.2.1]heptane
CID 56615606
bicyclo[2.2.1]heptane;heptane
CID 161465006
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751

Frequently Asked Questions

What is the IUPAC name of bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane?
The IUPAC name of bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane (CID 54423756) is bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane.
What is the SMILES notation for bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane?
The canonical SMILES for bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane is CCCCP(C1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane?
The InChIKey is WCPOJIWWQLALOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31P/c1-2-3-8-19(17-11-13-4-6-15(17)9-13)18-12-14-5-7-16(18)10-14/h13-18H,2-12H2,1H3.
What are the key properties of bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane?
bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane has a molecular weight of 278.42 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane is sourced from PubChem (CID 54423756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).