[3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane

C9H18P2 — CID 58351236

IUPAC[3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane
SMILESPCC1C2CCC(C2)C1CP
InChIInChI=1S/C9H18P2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h6-9H,1-5,10-11H2
InChIKeyPKDGHPQGBBMLBM-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.40
Rot. Bonds2

About [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane

[3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane (PubChem CID 58351236) has the molecular formula C9H18P2 and a molecular weight of 188.19 g/mol. Its IUPAC name is [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane.

Molecular Properties

Compound Name[3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane
PubChem CID58351236
Molecular FormulaC9H18P2
Molecular Weight188.19 g/mol
Exact Mass188.09
IUPAC Name[3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane
SMILESPCC1C2CCC(C2)C1CP
InChIInChI=1S/C9H18P2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h6-9H,1-5,10-11H2
InChIKeyPKDGHPQGBBMLBM-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane?
The IUPAC name of [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane (CID 58351236) is [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane.
What is the SMILES notation for [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane?
The canonical SMILES for [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane is PCC1C2CCC(C2)C1CP.
What is the InChIKey of [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane?
The InChIKey is PKDGHPQGBBMLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18P2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h6-9H,1-5,10-11H2.
What are the key properties of [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane?
[3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane has a molecular weight of 188.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phosphanylmethyl)-2-bicyclo[2.2.1]heptanyl]methylphosphane is sourced from PubChem (CID 58351236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).