2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane

C10H20O4P2S2 — CID 143777829

IUPAC2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(SSP2OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O4P2S2/c1-9(2)5-11-15(12-6-9)17-18-16-13-7-10(3,4)8-14-16/h5-8H2,1-4H3
InChIKeyJWJOYLFEXPMCDZ-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.97
Rot. Bonds3

About 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane

2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane (PubChem CID 143777829) has the molecular formula C10H20O4P2S2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane
PubChem CID143777829
Molecular FormulaC10H20O4P2S2
Molecular Weight330.35 g/mol
Exact Mass330.03
IUPAC Name2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(SSP2OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O4P2S2/c1-9(2)5-11-15(12-6-9)17-18-16-13-7-10(3,4)8-14-16/h5-8H2,1-4H3
InChIKeyJWJOYLFEXPMCDZ-UHFFFAOYSA-N
XLogP4.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
1,3-Propanediol, 2,2-dimethyl-, bis(cyclic 2,2-dimethyltrimethylene phosphorothionate
CID 6432582
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane (CID 143777829) is 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane is CC1(C)COP(SSP2OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane?
The InChIKey is JWJOYLFEXPMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4P2S2/c1-9(2)5-11-15(12-6-9)17-18-16-13-7-10(3,4)8-14-16/h5-8H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane?
2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane has a molecular weight of 330.35 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 143777829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).