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

C14H31O5PS — CID 3055287

IUPACbis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCCCCCC(C)OP(=S)(OCCOC)OCCOC
InChIInChI=1S/C14H31O5PS/c1-5-6-7-8-9-14(2)19-20(21,17-12-10-15-3)18-13-11-16-4/h14H,5-13H2,1-4H3
InChIKeyPYJOIWIBMUSXLY-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.91
Rot. Bonds15

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

bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane (PubChem CID 3055287) has the molecular formula C14H31O5PS and a molecular weight of 342.44 g/mol. Its IUPAC name is bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane
PubChem CID3055287
Molecular FormulaC14H31O5PS
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Namebis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCCCCCC(C)OP(=S)(OCCOC)OCCOC
InChIInChI=1S/C14H31O5PS/c1-5-6-7-8-9-14(2)19-20(21,17-12-10-15-3)18-13-11-16-4/h14H,5-13H2,1-4H3
InChIKeyPYJOIWIBMUSXLY-UHFFFAOYSA-N
XLogP3.91
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane (CID 3055287) is bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane is CCCCCCC(C)OP(=S)(OCCOC)OCCOC.
What is the InChIKey of bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane?
The InChIKey is PYJOIWIBMUSXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O5PS/c1-5-6-7-8-9-14(2)19-20(21,17-12-10-15-3)18-13-11-16-4/h14H,5-13H2,1-4H3.
What are the key properties of bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane?
bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane has a molecular weight of 342.44 g/mol, XLogP of 3.91, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3055287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).