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

C10H23O5PS — CID 3055269

IUPACbutan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
SMILESCCC(C)OP(=S)(OCCOC)OCCOC
InChIInChI=1S/C10H23O5PS/c1-5-10(2)15-16(17,13-8-6-11-3)14-9-7-12-4/h10H,5-9H2,1-4H3
InChIKeyWZEYPAKFYDHOFQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.35
Rot. Bonds11

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

butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 3055269) has the molecular formula C10H23O5PS and a molecular weight of 286.33 g/mol. Its IUPAC name is butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebutan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
PubChem CID3055269
Molecular FormulaC10H23O5PS
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Namebutan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
SMILESCCC(C)OP(=S)(OCCOC)OCCOC
InChIInChI=1S/C10H23O5PS/c1-5-10(2)15-16(17,13-8-6-11-3)14-9-7-12-4/h10H,5-9H2,1-4H3
InChIKeyWZEYPAKFYDHOFQ-UHFFFAOYSA-N
XLogP2.35
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.35
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'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane (CID 3055269) is butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane is CCC(C)OP(=S)(OCCOC)OCCOC.
What is the InChIKey of butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is WZEYPAKFYDHOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O5PS/c1-5-10(2)15-16(17,13-8-6-11-3)14-9-7-12-4/h10H,5-9H2,1-4H3.
What are the key properties of butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane?
butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 286.33 g/mol, XLogP of 2.35, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3055269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).