bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane

C15H32O5P2S2 — CID 101390112

IUPACbis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)COP(=S)(OCC(C)(C)C)OP1(=S)OCC(C)(C)CO1
InChIInChI=1S/C15H32O5P2S2/c1-13(2,3)9-16-21(23,17-10-14(4,5)6)20-22(24)18-11-15(7,8)12-19-22/h9-12H2,1-8H3
InChIKeyMNBVZJSMESJHKV-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.65
Rot. Bonds6

About bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane

bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane (PubChem CID 101390112) has the molecular formula C15H32O5P2S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane
PubChem CID101390112
Molecular FormulaC15H32O5P2S2
Molecular Weight418.50 g/mol
Exact Mass418.12
IUPAC Namebis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)COP(=S)(OCC(C)(C)C)OP1(=S)OCC(C)(C)CO1
InChIInChI=1S/C15H32O5P2S2/c1-13(2,3)9-16-21(23,17-10-14(4,5)6)20-22(24)18-11-15(7,8)12-19-22/h9-12H2,1-8H3
InChIKeyMNBVZJSMESJHKV-UHFFFAOYSA-N
XLogP5.65
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,2-Dioxaphosphorinane, 2,2'-oxybis(5,5-dimethyl-, 2,2'-disulfide
CID 77714
1,3-Propanediol, 2,2-dimethyl-, bis(cyclic 2,2-dimethyltrimethylene phosphorothionate
CID 6432582
Bis(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)disulfide
CID 13221629
2,2'-Bi-1,3,2-dioxaphosphorinane, 5,5,5',5'-tetramethyl-, 2,2'-disulfide
CID 550049
O-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl) O,O-diisopropyl phosphorothioate
CID 939784
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 11199253
2-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 15084262
(2-Ethoxy-5-methyl-1,3,2-dioxaphosphinan-5-yl)methyl methyl hydrogen phosphite
CID 22973532
2-[(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 89058558
(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy-(3-methoxy-2,2-dimethylpropoxy)-sulfanylidenephosphanium
CID 89115104
2-[(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 143777822
2-[(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl)disulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 143777829

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane (CID 101390112) is bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane is CC(C)(C)COP(=S)(OCC(C)(C)C)OP1(=S)OCC(C)(C)CO1.
What is the InChIKey of bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane?
The InChIKey is MNBVZJSMESJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5P2S2/c1-13(2,3)9-16-21(23,17-10-14(4,5)6)20-22(24)18-11-15(7,8)12-19-22/h9-12H2,1-8H3.
What are the key properties of bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane?
bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane has a molecular weight of 418.50 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropoxy)-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 101390112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).