(1-butylcyclohexyl)phosphane;diphenylphosphane

C22H32P2 — CID 174798687

IUPAC(1-butylcyclohexyl)phosphane;diphenylphosphane
SMILESCCCCC1(P)CCCCC1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C10H21P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-7-10(11)8-5-4-6-9-10/h1-10,13H;2-9,11H2,1H3
InChIKeyGSWASIBQBVNXFA-UHFFFAOYSA-N
MW358.45 g/mol
LogP6.07
Rot. Bonds5

About (1-butylcyclohexyl)phosphane;diphenylphosphane

(1-butylcyclohexyl)phosphane;diphenylphosphane (PubChem CID 174798687) has the molecular formula C22H32P2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (1-butylcyclohexyl)phosphane;diphenylphosphane.

Molecular Properties

Compound Name(1-butylcyclohexyl)phosphane;diphenylphosphane
PubChem CID174798687
Molecular FormulaC22H32P2
Molecular Weight358.45 g/mol
Exact Mass358.20
IUPAC Name(1-butylcyclohexyl)phosphane;diphenylphosphane
SMILESCCCCC1(P)CCCCC1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C10H21P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-7-10(11)8-5-4-6-9-10/h1-10,13H;2-9,11H2,1H3
InChIKeyGSWASIBQBVNXFA-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 56.07
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 (1-butylcyclohexyl)phosphane;diphenylphosphane?
The IUPAC name of (1-butylcyclohexyl)phosphane;diphenylphosphane (CID 174798687) is (1-butylcyclohexyl)phosphane;diphenylphosphane.
What is the SMILES notation for (1-butylcyclohexyl)phosphane;diphenylphosphane?
The canonical SMILES for (1-butylcyclohexyl)phosphane;diphenylphosphane is CCCCC1(P)CCCCC1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of (1-butylcyclohexyl)phosphane;diphenylphosphane?
The InChIKey is GSWASIBQBVNXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C10H21P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-7-10(11)8-5-4-6-9-10/h1-10,13H;2-9,11H2,1H3.
What are the key properties of (1-butylcyclohexyl)phosphane;diphenylphosphane?
(1-butylcyclohexyl)phosphane;diphenylphosphane has a molecular weight of 358.45 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclohexyl)phosphane;diphenylphosphane is sourced from PubChem (CID 174798687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).