[2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane

C21H46O4P2 — CID 20712733

IUPAC[2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane
SMILESCCCOCCOCCC(CCOCCOCCC)(CP(C)C)CP(C)C
InChIInChI=1S/C21H46O4P2/c1-7-11-22-15-17-24-13-9-21(19-26(3)4,20-27(5)6)10-14-25-18-16-23-12-8-2/h7-20H2,1-6H3
InChIKeyGEJNXLYRLXYZLL-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.12
Rot. Bonds20

About [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane

[2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane (PubChem CID 20712733) has the molecular formula C21H46O4P2 and a molecular weight of 424.54 g/mol. Its IUPAC name is [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane.

Molecular Properties

Compound Name[2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane
PubChem CID20712733
Molecular FormulaC21H46O4P2
Molecular Weight424.54 g/mol
Exact Mass424.29
IUPAC Name[2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane
SMILESCCCOCCOCCC(CCOCCOCCC)(CP(C)C)CP(C)C
InChIInChI=1S/C21H46O4P2/c1-7-11-22-15-17-24-13-9-21(19-26(3)4,20-27(5)6)10-14-25-18-16-23-12-8-2/h7-20H2,1-6H3
InChIKeyGEJNXLYRLXYZLL-UHFFFAOYSA-N
XLogP5.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(Dimethylphosphanylmethyl)-4-[2-(2-ethoxyethoxy)ethoxy]-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]butyl]-dimethylphosphane
CID 23560463
7,7,16,16-Tetramethyl-1,4,10,13-tetraoxacyclooctadecane
CID 59046060

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane?
The IUPAC name of [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane (CID 20712733) is [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane.
What is the SMILES notation for [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane?
The canonical SMILES for [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane is CCCOCCOCCC(CCOCCOCCC)(CP(C)C)CP(C)C.
What is the InChIKey of [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane?
The InChIKey is GEJNXLYRLXYZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O4P2/c1-7-11-22-15-17-24-13-9-21(19-26(3)4,20-27(5)6)10-14-25-18-16-23-12-8-2/h7-20H2,1-6H3.
What are the key properties of [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane?
[2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane has a molecular weight of 424.54 g/mol, XLogP of 5.12, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylphosphanylmethyl)-4-(2-propoxyethoxy)-2-[2-(2-propoxyethoxy)ethyl]butyl]-dimethylphosphane is sourced from PubChem (CID 20712733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).