(5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane

C29H26O2P2 — CID 141003274

IUPAC(5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane
SMILESCC1(C)OC(P(c2ccccc2)c2ccccc2)=C(P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C29H26O2P2/c1-29(2)30-27(32(23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(31-29)33(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyZUKNNJPRCZUKEO-UHFFFAOYSA-N
MW468.47 g/mol
LogP6.16
Rot. Bonds6

About (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane

(5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane (PubChem CID 141003274) has the molecular formula C29H26O2P2 and a molecular weight of 468.47 g/mol. Its IUPAC name is (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane.

Molecular Properties

Compound Name(5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane
PubChem CID141003274
Molecular FormulaC29H26O2P2
Molecular Weight468.47 g/mol
Exact Mass468.14
IUPAC Name(5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane
SMILESCC1(C)OC(P(c2ccccc2)c2ccccc2)=C(P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C29H26O2P2/c1-29(2)30-27(32(23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(31-29)33(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyZUKNNJPRCZUKEO-UHFFFAOYSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane?
The IUPAC name of (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane (CID 141003274) is (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane.
What is the SMILES notation for (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane?
The canonical SMILES for (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane is CC1(C)OC(P(c2ccccc2)c2ccccc2)=C(P(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane?
The InChIKey is ZUKNNJPRCZUKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O2P2/c1-29(2)30-27(32(23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(31-29)33(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3.
What are the key properties of (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane?
(5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane has a molecular weight of 468.47 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane is sourced from PubChem (CID 141003274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).