1,3-Bis(dicyclohexylphosphino)propane

C27H50P2CAS 103099-52-1436.64 g/mol

Open in Covalent MOL file
PP
Phosphine

Properties

Molecular formula
C27H50P2
Molar mass
436.64 g/mol
Exact mass
436.3388 Da
logP
9.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
103099-52-1
SMILES
C1CCC(CC1)P(CCCP(C2CCCCC2)C3CCCCC3)C4CCCCC4
InChIKey
RSJBEKXKEUQLER-UHFFFAOYSA-N
InChI
InChI=1S/C27H50P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h24-27H,1-23H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1,3-Bis(dicyclohexylphosphino)propane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)1002345-50-7Salt

Similar compounds

1,2-Bis(dicyclohexylphosphino)ethane23743-26-281 % similar Bis(dicyclohexylphosphino)methane137349-65-661 % similar Tricyclohexylphosphine2622-14-250 % similar Tricyclopentylphosphine7650-88-644 % similar Chlorodicyclohexylphosphine16523-54-943 % similar Bis(tricyclohexylphosphine)palladium(0)33309-88-543 % similar Bis(tricyclohexylphosphine)nickel(II) Dichloride19999-87-238 % similar Dichlorobis(tricyclohexylphosphine)palladium(II)29934-17-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook