ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane

C20H32NO2P — CID 91278788

IUPACethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane
SMILESCC.CC.CN=P(C)(Oc1cccc(C)c1)Oc1cccc(C)c1
InChIInChI=1S/C16H20NO2P.2C2H6/c1-13-7-5-9-15(11-13)18-20(4,17-3)19-16-10-6-8-14(2)12-16;2*1-2/h5-12H,1-4H3;2*1-2H3
InChIKeyWLWXZFPVQYPACA-UHFFFAOYSA-N
MW349.46 g/mol
LogP7.10
Rot. Bonds4

About ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane

ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane (PubChem CID 91278788) has the molecular formula C20H32NO2P and a molecular weight of 349.46 g/mol. Its IUPAC name is ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane.

Molecular Properties

Compound Nameethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane
PubChem CID91278788
Molecular FormulaC20H32NO2P
Molecular Weight349.46 g/mol
Exact Mass349.22
IUPAC Nameethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane
SMILESCC.CC.CN=P(C)(Oc1cccc(C)c1)Oc1cccc(C)c1
InChIInChI=1S/C16H20NO2P.2C2H6/c1-13-7-5-9-15(11-13)18-20(4,17-3)19-16-10-6-8-14(2)12-16;2*1-2/h5-12H,1-4H3;2*1-2H3
InChIKeyWLWXZFPVQYPACA-UHFFFAOYSA-N
XLogP7.10
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dimethylphosphoryloxy-3-methylbenzene
CID 23081729
hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 21154482
azane;bis(3-methylphenyl) hydrogen phosphate
CID 2843505
(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 89083431
sodium bis(3-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane
CID 88813408
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
ethane;1,3-xylene
CID 54570178
(4-bromophenyl) bis(3-methylphenyl) phosphate
CID 6426555
bis(4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426541
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1,3-bis[[methyl(phenoxy)phosphoryl]oxy]benzene;ethane
CID 160703248

Frequently Asked Questions

What is the IUPAC name of ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane?
The IUPAC name of ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane (CID 91278788) is ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane.
What is the SMILES notation for ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane?
The canonical SMILES for ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane is CC.CC.CN=P(C)(Oc1cccc(C)c1)Oc1cccc(C)c1.
What is the InChIKey of ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane?
The InChIKey is WLWXZFPVQYPACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO2P.2C2H6/c1-13-7-5-9-15(11-13)18-20(4,17-3)19-16-10-6-8-14(2)12-16;2*1-2/h5-12H,1-4H3;2*1-2H3.
What are the key properties of ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane?
ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane has a molecular weight of 349.46 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-methylimino-bis(3-methylphenoxy)-λ5-phosphane is sourced from PubChem (CID 91278788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).