bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane

C15H33O5PS — CID 3055280

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

About bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane

bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane (PubChem CID 3055280) has the molecular formula C15H33O5PS and a molecular weight of 356.47 g/mol. Its IUPAC name is bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane
PubChem CID3055280
Molecular FormulaC15H33O5PS
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Namebis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCCCCC(C)OP(=S)(OCCOCC)OCCOCC
InChIInChI=1S/C15H33O5PS/c1-5-8-9-10-15(4)20-21(22,18-13-11-16-6-2)19-14-12-17-7-3/h15H,5-14H2,1-4H3
InChIKeyMUDOWZVEDXXMJN-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'}

Analyze bis(2-ethoxyethoxy)-heptan-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-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane (CID 3055280) is bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane is CCCCCC(C)OP(=S)(OCCOCC)OCCOCC.
What is the InChIKey of bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane?
The InChIKey is MUDOWZVEDXXMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O5PS/c1-5-8-9-10-15(4)20-21(22,18-13-11-16-6-2)19-14-12-17-7-3/h15H,5-14H2,1-4H3.
What are the key properties of bis(2-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane?
bis(2-ethoxyethoxy)-heptan-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-ethoxyethoxy)-heptan-2-yloxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3055280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).