2,2-dimethylpropane;triphenylphosphane

C23H27P — CID 143924519

IUPAC2,2-dimethylpropane;triphenylphosphane
SMILESCC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H12/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4/h1-15H;1-4H3
InChIKeyVPCSKQKOLOONCC-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.50
Rot. Bonds3

About 2,2-dimethylpropane;triphenylphosphane

2,2-dimethylpropane;triphenylphosphane (PubChem CID 143924519) has the molecular formula C23H27P and a molecular weight of 334.44 g/mol. Its IUPAC name is 2,2-dimethylpropane;triphenylphosphane.

Molecular Properties

Compound Name2,2-dimethylpropane;triphenylphosphane
PubChem CID143924519
Molecular FormulaC23H27P
Molecular Weight334.44 g/mol
Exact Mass334.19
IUPAC Name2,2-dimethylpropane;triphenylphosphane
SMILESCC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H12/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4/h1-15H;1-4H3
InChIKeyVPCSKQKOLOONCC-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;triphenylphosphane?
The IUPAC name of 2,2-dimethylpropane;triphenylphosphane (CID 143924519) is 2,2-dimethylpropane;triphenylphosphane.
What is the SMILES notation for 2,2-dimethylpropane;triphenylphosphane?
The canonical SMILES for 2,2-dimethylpropane;triphenylphosphane is CC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2-dimethylpropane;triphenylphosphane?
The InChIKey is VPCSKQKOLOONCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C5H12/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4/h1-15H;1-4H3.
What are the key properties of 2,2-dimethylpropane;triphenylphosphane?
2,2-dimethylpropane;triphenylphosphane has a molecular weight of 334.44 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;triphenylphosphane is sourced from PubChem (CID 143924519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).