tri(cyclooctyl)phosphane

C24H45P — CID 12970661

IUPACtri(cyclooctyl)phosphane
SMILESC1CCCC(P(C2CCCCCCC2)C2CCCCCCC2)CCC1
InChIInChI=1S/C24H45P/c1-4-10-16-22(17-11-5-1)25(23-18-12-6-2-7-13-19-23)24-20-14-8-3-9-15-21-24/h22-24H,1-21H2
InChIKeyMPULMSAVZAPUQG-UHFFFAOYSA-N
MW364.60 g/mol
LogP8.81
Rot. Bonds3

About tri(cyclooctyl)phosphane

tri(cyclooctyl)phosphane (PubChem CID 12970661) has the molecular formula C24H45P and a molecular weight of 364.60 g/mol. Its IUPAC name is tri(cyclooctyl)phosphane.

Molecular Properties

Compound Nametri(cyclooctyl)phosphane
PubChem CID12970661
Molecular FormulaC24H45P
Molecular Weight364.60 g/mol
Exact Mass364.33
IUPAC Nametri(cyclooctyl)phosphane
SMILESC1CCCC(P(C2CCCCCCC2)C2CCCCCCC2)CCC1
InChIInChI=1S/C24H45P/c1-4-10-16-22(17-11-5-1)25(23-18-12-6-2-7-13-19-23)24-20-14-8-3-9-15-21-24/h22-24H,1-21H2
InChIKeyMPULMSAVZAPUQG-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 58.81
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 tri(cyclooctyl)phosphane?
The IUPAC name of tri(cyclooctyl)phosphane (CID 12970661) is tri(cyclooctyl)phosphane.
What is the SMILES notation for tri(cyclooctyl)phosphane?
The canonical SMILES for tri(cyclooctyl)phosphane is C1CCCC(P(C2CCCCCCC2)C2CCCCCCC2)CCC1.
What is the InChIKey of tri(cyclooctyl)phosphane?
The InChIKey is MPULMSAVZAPUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45P/c1-4-10-16-22(17-11-5-1)25(23-18-12-6-2-7-13-19-23)24-20-14-8-3-9-15-21-24/h22-24H,1-21H2.
What are the key properties of tri(cyclooctyl)phosphane?
tri(cyclooctyl)phosphane has a molecular weight of 364.60 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(cyclooctyl)phosphane is sourced from PubChem (CID 12970661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).