7-phosphanylheptan-3-ylphosphane

C7H18P2 — CID 139995810

IUPAC7-phosphanylheptan-3-ylphosphane
SMILESCCC(P)CCCCP
InChIInChI=1S/C7H18P2/c1-2-7(9)5-3-4-6-8/h7H,2-6,8-9H2,1H3
InChIKeyKLLZDNZNSBAHBQ-UHFFFAOYSA-N
MW164.17 g/mol
LogP2.69
Rot. Bonds5

About 7-phosphanylheptan-3-ylphosphane

7-phosphanylheptan-3-ylphosphane (PubChem CID 139995810) has the molecular formula C7H18P2 and a molecular weight of 164.17 g/mol. Its IUPAC name is 7-phosphanylheptan-3-ylphosphane.

Molecular Properties

Compound Name7-phosphanylheptan-3-ylphosphane
PubChem CID139995810
Molecular FormulaC7H18P2
Molecular Weight164.17 g/mol
Exact Mass164.09
IUPAC Name7-phosphanylheptan-3-ylphosphane
SMILESCCC(P)CCCCP
InChIInChI=1S/C7H18P2/c1-2-7(9)5-3-4-6-8/h7H,2-6,8-9H2,1H3
InChIKeyKLLZDNZNSBAHBQ-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 7-phosphanylheptan-3-ylphosphane?
The IUPAC name of 7-phosphanylheptan-3-ylphosphane (CID 139995810) is 7-phosphanylheptan-3-ylphosphane.
What is the SMILES notation for 7-phosphanylheptan-3-ylphosphane?
The canonical SMILES for 7-phosphanylheptan-3-ylphosphane is CCC(P)CCCCP.
What is the InChIKey of 7-phosphanylheptan-3-ylphosphane?
The InChIKey is KLLZDNZNSBAHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18P2/c1-2-7(9)5-3-4-6-8/h7H,2-6,8-9H2,1H3.
What are the key properties of 7-phosphanylheptan-3-ylphosphane?
7-phosphanylheptan-3-ylphosphane has a molecular weight of 164.17 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phosphanylheptan-3-ylphosphane is sourced from PubChem (CID 139995810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).