2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

C15H30O6P2S2 — CID 6432582

IUPAC2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1(C)COP(=S)(OCC(C)(C)COP2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C15H30O6P2S2/c1-13(2,7-16-22(24)18-9-14(3,4)10-19-22)8-17-23(25)20-11-15(5,6)12-21-23/h7-12H2,1-6H3
InChIKeyYHKBOQACPHKGFG-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.64
Rot. Bonds6

About 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (PubChem CID 6432582) has the molecular formula C15H30O6P2S2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.

Molecular Properties

Compound Name2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
PubChem CID6432582
Molecular FormulaC15H30O6P2S2
Molecular Weight432.48 g/mol
Exact Mass432.10
IUPAC Name2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1(C)COP(=S)(OCC(C)(C)COP2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C15H30O6P2S2/c1-13(2,7-16-22(24)18-9-14(3,4)10-19-22)8-17-23(25)20-11-15(5,6)12-21-23/h7-12H2,1-6H3
InChIKeyYHKBOQACPHKGFG-UHFFFAOYSA-N
XLogP4.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane with MolForge

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Related Compounds

1,3,2-Dioxaphosphorinane, 2,2'-oxybis(5,5-dimethyl-, 2,2'-disulfide
CID 77714
2,2'-Oxybis(5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-dioxide
CID 77715
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-dimethoxy-
CID 81535
1,3,2-Dioxaphosphorinane, 2,2'-((2,2-dimethyl-1,3-propanediyl)bis(oxy))bis(5,5-dimethyl-
CID 101091
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 2778008
2,2'-Bi-1,3,2-dioxaphosphorinane, 5,5,5',5'-tetramethyl-, 2,2'-dioxide
CID 549736
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-diethoxy-
CID 81536
1,3,2-Dioxaphosphorinane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxy)]bis[5,5-dimethyl-, 2,2'-dioxide
CID 116956
2-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 3832089
Bis(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)disulfide
CID 13221629
2-[(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 13951319
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxymethyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 57641081

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The IUPAC name of 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (CID 6432582) is 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.
What is the SMILES notation for 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The canonical SMILES for 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is CC1(C)COP(=S)(OCC(C)(C)COP2(=S)OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The InChIKey is YHKBOQACPHKGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6P2S2/c1-13(2,7-16-22(24)18-9-14(3,4)10-19-22)8-17-23(25)20-11-15(5,6)12-21-23/h7-12H2,1-6H3.
What are the key properties of 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane has a molecular weight of 432.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is sourced from PubChem (CID 6432582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).