2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane

C16H35O2PS2 — CID 22062721

IUPAC2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCC(CC)COP(O)(=S)SCC(CC)CCCC
InChIInChI=1S/C16H35O2PS2/c1-5-9-11-15(7-3)13-18-19(17,20)21-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,20)
InChIKeyDJYXXTPFVXXNJU-UHFFFAOYSA-N
MW354.56 g/mol
LogP6.39
Rot. Bonds14

About 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane

2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 22062721) has the molecular formula C16H35O2PS2 and a molecular weight of 354.56 g/mol. Its IUPAC name is 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID22062721
Molecular FormulaC16H35O2PS2
Molecular Weight354.56 g/mol
Exact Mass354.18
IUPAC Name2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCC(CC)COP(O)(=S)SCC(CC)CCCC
InChIInChI=1S/C16H35O2PS2/c1-5-9-11-15(7-3)13-18-19(17,20)21-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,20)
InChIKeyDJYXXTPFVXXNJU-UHFFFAOYSA-N
XLogP6.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.56
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-octylsulfanyl-sulfanylidene-λ5-phosphane;2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane
CID 87604085
2-ethylhexoxy(2-ethylhexylsulfanyl)phosphinic acid
CID 21217544
CID 54607094
CID 54607094
tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)
CID 14251929
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 22134484
CID 87184341
CID 87184341
CID 131883274
CID 131883274
bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane
CID 164511717
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
CID 173290359

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane (CID 22062721) is 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane is CCCCC(CC)COP(O)(=S)SCC(CC)CCCC.
What is the InChIKey of 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is DJYXXTPFVXXNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O2PS2/c1-5-9-11-15(7-3)13-18-19(17,20)21-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,20).
What are the key properties of 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane?
2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 354.56 g/mol, XLogP of 6.39, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 22062721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).