tri(cyclohex-2-en-1-yl)phosphane

C18H27P — CID 154370518

IUPACtri(cyclohex-2-en-1-yl)phosphane
SMILESC1=CC(P(C2C=CCCC2)C2C=CCCC2)CCC1
InChIInChI=1S/C18H27P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4,6,8,10,12,14,16-18H,1-3,5,7,9,11,13,15H2
InChIKeyWMHRPFBICKLVHT-UHFFFAOYSA-N
MW274.39 g/mol
LogP5.79
Rot. Bonds3

About tri(cyclohex-2-en-1-yl)phosphane

tri(cyclohex-2-en-1-yl)phosphane (PubChem CID 154370518) has the molecular formula C18H27P and a molecular weight of 274.39 g/mol. Its IUPAC name is tri(cyclohex-2-en-1-yl)phosphane.

Molecular Properties

Compound Nametri(cyclohex-2-en-1-yl)phosphane
PubChem CID154370518
Molecular FormulaC18H27P
Molecular Weight274.39 g/mol
Exact Mass274.19
IUPAC Nametri(cyclohex-2-en-1-yl)phosphane
SMILESC1=CC(P(C2C=CCCC2)C2C=CCCC2)CCC1
InChIInChI=1S/C18H27P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4,6,8,10,12,14,16-18H,1-3,5,7,9,11,13,15H2
InChIKeyWMHRPFBICKLVHT-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.39
LogP ≤ 55.79
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 tri(cyclohex-2-en-1-yl)phosphane?
The IUPAC name of tri(cyclohex-2-en-1-yl)phosphane (CID 154370518) is tri(cyclohex-2-en-1-yl)phosphane.
What is the SMILES notation for tri(cyclohex-2-en-1-yl)phosphane?
The canonical SMILES for tri(cyclohex-2-en-1-yl)phosphane is C1=CC(P(C2C=CCCC2)C2C=CCCC2)CCC1.
What is the InChIKey of tri(cyclohex-2-en-1-yl)phosphane?
The InChIKey is WMHRPFBICKLVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4,6,8,10,12,14,16-18H,1-3,5,7,9,11,13,15H2.
What are the key properties of tri(cyclohex-2-en-1-yl)phosphane?
tri(cyclohex-2-en-1-yl)phosphane has a molecular weight of 274.39 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(cyclohex-2-en-1-yl)phosphane is sourced from PubChem (CID 154370518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).