cyclooctene;triphenylphosphane

C26H29P — CID 175429598

IUPACcyclooctene;triphenylphosphane
SMILESC1=CCCCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H14/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1/h1-15H;1-2H,3-8H2
InChIKeyWRVMGHLJWSEFLJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP6.34
Rot. Bonds3

About cyclooctene;triphenylphosphane

cyclooctene;triphenylphosphane (PubChem CID 175429598) has the molecular formula C26H29P and a molecular weight of 372.49 g/mol. Its IUPAC name is cyclooctene;triphenylphosphane.

Molecular Properties

Compound Namecyclooctene;triphenylphosphane
PubChem CID175429598
Molecular FormulaC26H29P
Molecular Weight372.49 g/mol
Exact Mass372.20
IUPAC Namecyclooctene;triphenylphosphane
SMILESC1=CCCCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H14/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1/h1-15H;1-2H,3-8H2
InChIKeyWRVMGHLJWSEFLJ-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclooctene;triphenylphosphane?
The IUPAC name of cyclooctene;triphenylphosphane (CID 175429598) is cyclooctene;triphenylphosphane.
What is the SMILES notation for cyclooctene;triphenylphosphane?
The canonical SMILES for cyclooctene;triphenylphosphane is C1=CCCCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclooctene;triphenylphosphane?
The InChIKey is WRVMGHLJWSEFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C8H14/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1/h1-15H;1-2H,3-8H2.
What are the key properties of cyclooctene;triphenylphosphane?
cyclooctene;triphenylphosphane has a molecular weight of 372.49 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctene;triphenylphosphane is sourced from PubChem (CID 175429598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).