butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane

C7H17O2PS — CID 3049706

IUPACbutan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(C)(=S)OC(C)CC
InChIInChI=1S/C7H17O2PS/c1-5-7(3)9-10(4,11)8-6-2/h7H,5-6H2,1-4H3
InChIKeyPJPVHAMBFOPEIO-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.78
Rot. Bonds5

About butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane

butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane (PubChem CID 3049706) has the molecular formula C7H17O2PS and a molecular weight of 196.25 g/mol. Its IUPAC name is butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebutan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane
PubChem CID3049706
Molecular FormulaC7H17O2PS
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Namebutan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(C)(=S)OC(C)CC
InChIInChI=1S/C7H17O2PS/c1-5-7(3)9-10(4,11)8-6-2/h7H,5-6H2,1-4H3
InChIKeyPJPVHAMBFOPEIO-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane (CID 3049706) is butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane is CCOP(C)(=S)OC(C)CC.
What is the InChIKey of butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane?
The InChIKey is PJPVHAMBFOPEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2PS/c1-5-7(3)9-10(4,11)8-6-2/h7H,5-6H2,1-4H3.
What are the key properties of butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane?
butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane has a molecular weight of 196.25 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-ethoxy-methyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3049706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).