bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane

C15H33O5PS — CID 3055273

IUPACbis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCCCCCCC(C)OP(=S)(OCCOC)OCCOC
InChIInChI=1S/C15H33O5PS/c1-5-6-7-8-9-10-15(2)20-21(22,18-13-11-16-3)19-14-12-17-4/h15H,5-14H2,1-4H3
InChIKeyOEOQXKWUVKDZCY-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.30
Rot. Bonds16

About bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane

bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane (PubChem CID 3055273) has the molecular formula C15H33O5PS and a molecular weight of 356.47 g/mol. Its IUPAC name is bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane
PubChem CID3055273
Molecular FormulaC15H33O5PS
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Namebis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCCCCCCC(C)OP(=S)(OCCOC)OCCOC
InChIInChI=1S/C15H33O5PS/c1-5-6-7-8-9-10-15(2)20-21(22,18-13-11-16-3)19-14-12-17-4/h15H,5-14H2,1-4H3
InChIKeyOEOQXKWUVKDZCY-UHFFFAOYSA-N
XLogP4.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

decan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
CID 3055274
2-(2-methoxyethoxy)octadecane
CID 89276167
butyl diheptan-2-yl phosphate
CID 22497679
2-[ethyl(octan-2-yloxy)phosphoryl]oxyoctane
CID 170850980
nonadecan-2-yl phosphate
CID 21219886
2-[octan-2-yl(octan-2-yloxy)phosphoryl]oxyoctane
CID 88710365
dioctan-2-yl phosphate;iron(2+)
CID 157379729
dipotassium;tridecan-2-yl phosphate
CID 139671549
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
decan-2-yloxy(methyl)phosphinate
CID 170850603
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
octan-2-yloxy(propyl)phosphinic acid
CID 87194607

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane (CID 3055273) is bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane is CCCCCCCC(C)OP(=S)(OCCOC)OCCOC.
What is the InChIKey of bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane?
The InChIKey is OEOQXKWUVKDZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O5PS/c1-5-6-7-8-9-10-15(2)20-21(22,18-13-11-16-3)19-14-12-17-4/h15H,5-14H2,1-4H3.
What are the key properties of bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane?
bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane has a molecular weight of 356.47 g/mol, XLogP of 4.30, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3055273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).