tri(cyclododecyl)phosphane

C36H69P — CID 19065577

IUPACtri(cyclododecyl)phosphane
SMILESC1CCCCCC(P(C2CCCCCCCCCCC2)C2CCCCCCCCCCC2)CCCCC1
InChIInChI=1S/C36H69P/c1-4-10-16-22-28-34(29-23-17-11-5-1)37(35-30-24-18-12-6-2-7-13-19-25-31-35)36-32-26-20-14-8-3-9-15-21-27-33-36/h34-36H,1-33H2
InChIKeyQQAOFAWRXRVKNP-UHFFFAOYSA-N
MW532.92 g/mol
LogP13.49
Rot. Bonds3

About tri(cyclododecyl)phosphane

tri(cyclododecyl)phosphane (PubChem CID 19065577) has the molecular formula C36H69P and a molecular weight of 532.92 g/mol. Its IUPAC name is tri(cyclododecyl)phosphane.

Molecular Properties

Compound Nametri(cyclododecyl)phosphane
PubChem CID19065577
Molecular FormulaC36H69P
Molecular Weight532.92 g/mol
Exact Mass532.51
IUPAC Nametri(cyclododecyl)phosphane
SMILESC1CCCCCC(P(C2CCCCCCCCCCC2)C2CCCCCCCCCCC2)CCCCC1
InChIInChI=1S/C36H69P/c1-4-10-16-22-28-34(29-23-17-11-5-1)37(35-30-24-18-12-6-2-7-13-19-25-31-35)36-32-26-20-14-8-3-9-15-21-27-33-36/h34-36H,1-33H2
InChIKeyQQAOFAWRXRVKNP-UHFFFAOYSA-N
XLogP13.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.92
LogP ≤ 513.49
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(cyclododecyl)phosphane?
The IUPAC name of tri(cyclododecyl)phosphane (CID 19065577) is tri(cyclododecyl)phosphane.
What is the SMILES notation for tri(cyclododecyl)phosphane?
The canonical SMILES for tri(cyclododecyl)phosphane is C1CCCCCC(P(C2CCCCCCCCCCC2)C2CCCCCCCCCCC2)CCCCC1.
What is the InChIKey of tri(cyclododecyl)phosphane?
The InChIKey is QQAOFAWRXRVKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H69P/c1-4-10-16-22-28-34(29-23-17-11-5-1)37(35-30-24-18-12-6-2-7-13-19-25-31-35)36-32-26-20-14-8-3-9-15-21-27-33-36/h34-36H,1-33H2.
What are the key properties of tri(cyclododecyl)phosphane?
tri(cyclododecyl)phosphane has a molecular weight of 532.92 g/mol, XLogP of 13.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(cyclododecyl)phosphane is sourced from PubChem (CID 19065577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).