ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane

C20H36NO2P — CID 162217804

IUPACethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane
SMILESC.C.CC.CC.CN=P(C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H16NO2P.2C2H6.2CH4/c1-15-18(2,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14;2*1-2;;/h3-12H,1-2H3;2*1-2H3;2*1H4
InChIKeyZTRZZGCENUOIKN-UHFFFAOYSA-N
MW353.49 g/mol
LogP7.76
Rot. Bonds4

About ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane

ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane (PubChem CID 162217804) has the molecular formula C20H36NO2P and a molecular weight of 353.49 g/mol. Its IUPAC name is ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane.

Molecular Properties

Compound Nameethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane
PubChem CID162217804
Molecular FormulaC20H36NO2P
Molecular Weight353.49 g/mol
Exact Mass353.25
IUPAC Nameethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane
SMILESC.C.CC.CC.CN=P(C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H16NO2P.2C2H6.2CH4/c1-15-18(2,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14;2*1-2;;/h3-12H,1-2H3;2*1-2H3;2*1H4
InChIKeyZTRZZGCENUOIKN-UHFFFAOYSA-N
XLogP7.76
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane?
The IUPAC name of ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane (CID 162217804) is ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane.
What is the SMILES notation for ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane?
The canonical SMILES for ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane is C.C.CC.CC.CN=P(C)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane?
The InChIKey is ZTRZZGCENUOIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO2P.2C2H6.2CH4/c1-15-18(2,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14;2*1-2;;/h3-12H,1-2H3;2*1-2H3;2*1H4.
What are the key properties of ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane?
ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane has a molecular weight of 353.49 g/mol, XLogP of 7.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methyl-methylimino-diphenoxy-λ5-phosphane is sourced from PubChem (CID 162217804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).