(3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane

C7H12P2 — CID 87092959

IUPAC(3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane
SMILESPC1C2C=CC(C2)C1P
InChIInChI=1S/C7H12P2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-7H,3,8-9H2
InChIKeyDIMQLARKLLDRSY-UHFFFAOYSA-N
MW158.12 g/mol
LogP1.68
Rot. Bonds

About (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane

(3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane (PubChem CID 87092959) has the molecular formula C7H12P2 and a molecular weight of 158.12 g/mol. Its IUPAC name is (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane.

Molecular Properties

Compound Name(3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane
PubChem CID87092959
Molecular FormulaC7H12P2
Molecular Weight158.12 g/mol
Exact Mass158.04
IUPAC Name(3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane
SMILESPC1C2C=CC(C2)C1P
InChIInChI=1S/C7H12P2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-7H,3,8-9H2
InChIKeyDIMQLARKLLDRSY-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane?
The IUPAC name of (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane (CID 87092959) is (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane.
What is the SMILES notation for (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane?
The canonical SMILES for (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane is PC1C2C=CC(C2)C1P.
What is the InChIKey of (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane?
The InChIKey is DIMQLARKLLDRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12P2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-7H,3,8-9H2.
What are the key properties of (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane?
(3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane has a molecular weight of 158.12 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phosphanyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane is sourced from PubChem (CID 87092959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).