(2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane

C8H17O4PS — CID 135224246

IUPAC(2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane
SMILESCCC1OC(C)CC1OP(O)(=S)OC
InChIInChI=1S/C8H17O4PS/c1-4-7-8(5-6(2)11-7)12-13(9,14)10-3/h6-8H,4-5H2,1-3H3,(H,9,14)
InChIKeyHILIZRDIZULHEK-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.82
Rot. Bonds4

About (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane

(2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane (PubChem CID 135224246) has the molecular formula C8H17O4PS and a molecular weight of 240.26 g/mol. Its IUPAC name is (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane
PubChem CID135224246
Molecular FormulaC8H17O4PS
Molecular Weight240.26 g/mol
Exact Mass240.06
IUPAC Name(2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane
SMILESCCC1OC(C)CC1OP(O)(=S)OC
InChIInChI=1S/C8H17O4PS/c1-4-7-8(5-6(2)11-7)12-13(9,14)10-3/h6-8H,4-5H2,1-3H3,(H,9,14)
InChIKeyHILIZRDIZULHEK-UHFFFAOYSA-N
XLogP1.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Octyl thiophosphatidic acid
CID 44407389
Dihydroxy-(2-methoxy-3-octadecoxypropoxy)-sulfanylidene-lambda5-phosphane
CID 11648176
dihydroxy-[(2S)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-lambda5-phosphane
CID 71720690
[(2R)-2,3-dioctoxypropoxy]-dihydroxy-sulfanylidene-lambda5-phosphane
CID 11625765
dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-lambda5-phosphane
CID 71719457
Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester
CID 107114
O-Heptan-2-yl O,O-bis(2-methoxyethyl) phosphorothioate
CID 3055272
O,O-Bis(2-ethoxyethyl) O-heptan-2-yl phosphorothioate
CID 3055280
2,3-Dioctoxypropoxy-dihydroxy-sulfanylidene-lambda5-phosphane
CID 73033787
(3-Hexadecoxy-2-methoxypropoxy)-hydroxy-oxido-sulfanylidene-lambda5-phosphane
CID 164687030
2-[(2R)-2-methoxy-3-octadecoxypropoxy]-1,3,2-dioxaphospholane
CID 178271223
(2-Hexadecoxy-3-methoxypropoxy)-dihydroxy-sulfanylidene-lambda5-phosphane
CID 71569054

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane (CID 135224246) is (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane is CCC1OC(C)CC1OP(O)(=S)OC.
What is the InChIKey of (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane?
The InChIKey is HILIZRDIZULHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4PS/c1-4-7-8(5-6(2)11-7)12-13(9,14)10-3/h6-8H,4-5H2,1-3H3,(H,9,14).
What are the key properties of (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane?
(2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane has a molecular weight of 240.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 135224246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).