diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane

C7H17O3PS — CID 3048039

IUPACdiethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)OC(C)C
InChIInChI=1S/C7H17O3PS/c1-5-8-11(12,9-6-2)10-7(3)4/h7H,5-6H2,1-4H3
InChIKeyDTAUVXJJWJDFDW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.71
Rot. Bonds6

About diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane

diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane (PubChem CID 3048039) has the molecular formula C7H17O3PS and a molecular weight of 212.25 g/mol. Its IUPAC name is diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane
PubChem CID3048039
Molecular FormulaC7H17O3PS
Molecular Weight212.25 g/mol
Exact Mass212.06
IUPAC Namediethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)OC(C)C
InChIInChI=1S/C7H17O3PS/c1-5-8-11(12,9-6-2)10-7(3)4/h7H,5-6H2,1-4H3
InChIKeyDTAUVXJJWJDFDW-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane (CID 3048039) is diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)OC(C)C.
What is the InChIKey of diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane?
The InChIKey is DTAUVXJJWJDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3PS/c1-5-8-11(12,9-6-2)10-7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane?
diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane has a molecular weight of 212.25 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3048039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).