butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane

C10H23O2PS2 — CID 22833363

IUPACbutan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCC(C)OP(=S)(S)OC(C)CC(C)C
InChIInChI=1S/C10H23O2PS2/c1-6-9(4)11-13(14,15)12-10(5)7-8(2)3/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyKRJZWRMOMAVUBC-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.41
Rot. Bonds7

About butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane

butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 22833363) has the molecular formula C10H23O2PS2 and a molecular weight of 270.40 g/mol. Its IUPAC name is butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID22833363
Molecular FormulaC10H23O2PS2
Molecular Weight270.40 g/mol
Exact Mass270.09
IUPAC Namebutan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCC(C)OP(=S)(S)OC(C)CC(C)C
InChIInChI=1S/C10H23O2PS2/c1-6-9(4)11-13(14,15)12-10(5)7-8(2)3/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyKRJZWRMOMAVUBC-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane (CID 22833363) is butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane is CCC(C)OP(=S)(S)OC(C)CC(C)C.
What is the InChIKey of butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is KRJZWRMOMAVUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O2PS2/c1-6-9(4)11-13(14,15)12-10(5)7-8(2)3/h8-10H,6-7H2,1-5H3,(H,14,15).
What are the key properties of butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane?
butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 270.40 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 22833363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).