phosphane;tricyclohexylphosphane

C18H36P2 — CID 87084185

IUPACphosphane;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.P
InChIInChI=1S/C18H33P.H3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;1H3
InChIKeyMRSDSBMESKXSNZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.52
Rot. Bonds3

About phosphane;tricyclohexylphosphane

phosphane;tricyclohexylphosphane (PubChem CID 87084185) has the molecular formula C18H36P2 and a molecular weight of 314.43 g/mol. Its IUPAC name is phosphane;tricyclohexylphosphane.

Molecular Properties

Compound Namephosphane;tricyclohexylphosphane
PubChem CID87084185
Molecular FormulaC18H36P2
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Namephosphane;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.P
InChIInChI=1S/C18H33P.H3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;1H3
InChIKeyMRSDSBMESKXSNZ-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.52
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 phosphane;tricyclohexylphosphane?
The IUPAC name of phosphane;tricyclohexylphosphane (CID 87084185) is phosphane;tricyclohexylphosphane.
What is the SMILES notation for phosphane;tricyclohexylphosphane?
The canonical SMILES for phosphane;tricyclohexylphosphane is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.P.
What is the InChIKey of phosphane;tricyclohexylphosphane?
The InChIKey is MRSDSBMESKXSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33P.H3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;1H3.
What are the key properties of phosphane;tricyclohexylphosphane?
phosphane;tricyclohexylphosphane has a molecular weight of 314.43 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;tricyclohexylphosphane is sourced from PubChem (CID 87084185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).