butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane

C11H25O2PS — CID 19708239

IUPACbutoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane
SMILESC=P(OCCCC)(OCC(C)C)SCC
InChIInChI=1S/C11H25O2PS/c1-6-8-9-12-14(5,15-7-2)13-10-11(3)4/h11H,5-10H2,1-4H3
InChIKeyAEJSLTBFULKBDK-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.42
Rot. Bonds9

About butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane

butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane (PubChem CID 19708239) has the molecular formula C11H25O2PS and a molecular weight of 252.36 g/mol. Its IUPAC name is butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane.

Molecular Properties

Compound Namebutoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane
PubChem CID19708239
Molecular FormulaC11H25O2PS
Molecular Weight252.36 g/mol
Exact Mass252.13
IUPAC Namebutoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane
SMILESC=P(OCCCC)(OCC(C)C)SCC
InChIInChI=1S/C11H25O2PS/c1-6-8-9-12-14(5,15-7-2)13-10-11(3)4/h11H,5-10H2,1-4H3
InChIKeyAEJSLTBFULKBDK-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylpropyl) pentyl phosphate
CID 54560421
1-[butyl(2-methylpropoxy)phosphoryl]oxyoctadecane
CID 91716506
1-[butyl(2-methylpropoxy)phosphoryl]oxydodecane
CID 91716241
1-[butyl(2-methylpropoxy)phosphoryl]oxypentadecane
CID 91716510
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane
CID 158113780
1-[butylsulfanyl(methyl)phosphoryl]oxybutane
CID 3084236
1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
1-[bis(2-methylpropoxy)phosphoryl]hexadecane
CID 172712783
dibutyl phosphate;tetramethylphosphanium
CID 87474476
dibutoxyphosphorylmethanediol
CID 87672065
dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 6612212

Frequently Asked Questions

What is the IUPAC name of butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane?
The IUPAC name of butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane (CID 19708239) is butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane.
What is the SMILES notation for butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane?
The canonical SMILES for butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane is C=P(OCCCC)(OCC(C)C)SCC.
What is the InChIKey of butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane?
The InChIKey is AEJSLTBFULKBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O2PS/c1-6-8-9-12-14(5,15-7-2)13-10-11(3)4/h11H,5-10H2,1-4H3.
What are the key properties of butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane?
butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane has a molecular weight of 252.36 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-ethylsulfanyl-methylidene-(2-methylpropoxy)-λ5-phosphane is sourced from PubChem (CID 19708239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).