bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane

C34H47O2P — CID 139716046

IUPACbis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane
SMILESCCCC(C)(C)c1cc(C)cc(C)c1OP(Oc1c(C)cc(C)cc1C(C)(C)CCC)c1ccccc1
InChIInChI=1S/C34H47O2P/c1-11-18-33(7,8)29-22-24(3)20-26(5)31(29)35-37(28-16-14-13-15-17-28)36-32-27(6)21-25(4)23-30(32)34(9,10)19-12-2/h13-17,20-23H,11-12,18-19H2,1-10H3
InChIKeyLNQABKSNRKHOOA-UHFFFAOYSA-N
MW518.72 g/mol
LogP10.17
Rot. Bonds11

About bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane

bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane (PubChem CID 139716046) has the molecular formula C34H47O2P and a molecular weight of 518.72 g/mol. Its IUPAC name is bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane.

Molecular Properties

Compound Namebis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane
PubChem CID139716046
Molecular FormulaC34H47O2P
Molecular Weight518.72 g/mol
Exact Mass518.33
IUPAC Namebis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane
SMILESCCCC(C)(C)c1cc(C)cc(C)c1OP(Oc1c(C)cc(C)cc1C(C)(C)CCC)c1ccccc1
InChIInChI=1S/C34H47O2P/c1-11-18-33(7,8)29-22-24(3)20-26(5)31(29)35-37(28-16-14-13-15-17-28)36-32-27(6)21-25(4)23-30(32)34(9,10)19-12-2/h13-17,20-23H,11-12,18-19H2,1-10H3
InChIKeyLNQABKSNRKHOOA-UHFFFAOYSA-N
XLogP10.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.72
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane?
The IUPAC name of bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane (CID 139716046) is bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane.
What is the SMILES notation for bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane?
The canonical SMILES for bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane is CCCC(C)(C)c1cc(C)cc(C)c1OP(Oc1c(C)cc(C)cc1C(C)(C)CCC)c1ccccc1.
What is the InChIKey of bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane?
The InChIKey is LNQABKSNRKHOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47O2P/c1-11-18-33(7,8)29-22-24(3)20-26(5)31(29)35-37(28-16-14-13-15-17-28)36-32-27(6)21-25(4)23-30(32)34(9,10)19-12-2/h13-17,20-23H,11-12,18-19H2,1-10H3.
What are the key properties of bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane?
bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane has a molecular weight of 518.72 g/mol, XLogP of 10.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,4-dimethyl-6-(2-methylpentan-2-yl)phenoxy]-phenylphosphane is sourced from PubChem (CID 139716046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).