dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane

C7H17O3PS — CID 3061883

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

About dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane

dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane (PubChem CID 3061883) has the molecular formula C7H17O3PS and a molecular weight of 212.25 g/mol. Its IUPAC name is dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane
PubChem CID3061883
Molecular FormulaC7H17O3PS
Molecular Weight212.25 g/mol
Exact Mass212.06
IUPAC Namedimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCCC(C)OP(=S)(OC)OC
InChIInChI=1S/C7H17O3PS/c1-5-6-7(2)10-11(12,8-3)9-4/h7H,5-6H2,1-4H3
InChIKeyWFKICLHWGJUALX-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 dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane (CID 3061883) is dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane is CCCC(C)OP(=S)(OC)OC.
What is the InChIKey of dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane?
The InChIKey is WFKICLHWGJUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3PS/c1-5-6-7(2)10-11(12,8-3)9-4/h7H,5-6H2,1-4H3.
What are the key properties of dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane?
dimethoxy-pentan-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 dimethoxy-pentan-2-yloxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3061883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).