(1,2-diphenylcyclooctyl)phosphane

C20H25P — CID 22238653

IUPAC(1,2-diphenylcyclooctyl)phosphane
SMILESPC1(c2ccccc2)CCCCCCC1c1ccccc1
InChIInChI=1S/C20H25P/c21-20(18-13-7-4-8-14-18)16-10-2-1-9-15-19(20)17-11-5-3-6-12-17/h3-8,11-14,19H,1-2,9-10,15-16,21H2
InChIKeyKLXXEDYKFPORSQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.89
Rot. Bonds2

About (1,2-diphenylcyclooctyl)phosphane

(1,2-diphenylcyclooctyl)phosphane (PubChem CID 22238653) has the molecular formula C20H25P and a molecular weight of 296.39 g/mol. Its IUPAC name is (1,2-diphenylcyclooctyl)phosphane.

Molecular Properties

Compound Name(1,2-diphenylcyclooctyl)phosphane
PubChem CID22238653
Molecular FormulaC20H25P
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name(1,2-diphenylcyclooctyl)phosphane
SMILESPC1(c2ccccc2)CCCCCCC1c1ccccc1
InChIInChI=1S/C20H25P/c21-20(18-13-7-4-8-14-18)16-10-2-1-9-15-19(20)17-11-5-3-6-12-17/h3-8,11-14,19H,1-2,9-10,15-16,21H2
InChIKeyKLXXEDYKFPORSQ-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.89
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 (1,2-diphenylcyclooctyl)phosphane?
The IUPAC name of (1,2-diphenylcyclooctyl)phosphane (CID 22238653) is (1,2-diphenylcyclooctyl)phosphane.
What is the SMILES notation for (1,2-diphenylcyclooctyl)phosphane?
The canonical SMILES for (1,2-diphenylcyclooctyl)phosphane is PC1(c2ccccc2)CCCCCCC1c1ccccc1.
What is the InChIKey of (1,2-diphenylcyclooctyl)phosphane?
The InChIKey is KLXXEDYKFPORSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25P/c21-20(18-13-7-4-8-14-18)16-10-2-1-9-15-19(20)17-11-5-3-6-12-17/h3-8,11-14,19H,1-2,9-10,15-16,21H2.
What are the key properties of (1,2-diphenylcyclooctyl)phosphane?
(1,2-diphenylcyclooctyl)phosphane has a molecular weight of 296.39 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diphenylcyclooctyl)phosphane is sourced from PubChem (CID 22238653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).