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

C11H25O5PS — CID 3055270

IUPACbis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCCC(C)OP(=S)(OCCOC)OCCOC
InChIInChI=1S/C11H25O5PS/c1-5-6-11(2)16-17(18,14-9-7-12-3)15-10-8-13-4/h11H,5-10H2,1-4H3
InChIKeyLWMJTLRXZZPMBX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.74
Rot. Bonds12

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

bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane (PubChem CID 3055270) has the molecular formula C11H25O5PS and a molecular weight of 300.36 g/mol. Its IUPAC name is bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane
PubChem CID3055270
Molecular FormulaC11H25O5PS
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Namebis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCCC(C)OP(=S)(OCCOC)OCCOC
InChIInChI=1S/C11H25O5PS/c1-5-6-11(2)16-17(18,14-9-7-12-3)15-10-8-13-4/h11H,5-10H2,1-4H3
InChIKeyLWMJTLRXZZPMBX-UHFFFAOYSA-N
XLogP2.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.74
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'}

Analyze bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane (CID 3055270) is bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane is CCCC(C)OP(=S)(OCCOC)OCCOC.
What is the InChIKey of bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane?
The InChIKey is LWMJTLRXZZPMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O5PS/c1-5-6-11(2)16-17(18,14-9-7-12-3)15-10-8-13-4/h11H,5-10H2,1-4H3.
What are the key properties of bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane?
bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane has a molecular weight of 300.36 g/mol, XLogP of 2.74, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3055270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).