(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane

C11H24O5P2S — CID 939784

IUPAC(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
SMILESCC(C)OP(=S)(OC(C)C)OP1OCC(C)(C)CO1
InChIInChI=1S/C11H24O5P2S/c1-9(2)14-18(19,15-10(3)4)16-17-12-7-11(5,6)8-13-17/h9-10H,7-8H2,1-6H3
InChIKeyZIXUTHHJXVDMSS-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.38
Rot. Bonds6

About (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane

(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane (PubChem CID 939784) has the molecular formula C11H24O5P2S and a molecular weight of 330.32 g/mol. Its IUPAC name is (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
PubChem CID939784
Molecular FormulaC11H24O5P2S
Molecular Weight330.32 g/mol
Exact Mass330.08
IUPAC Name(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
SMILESCC(C)OP(=S)(OC(C)C)OP1OCC(C)(C)CO1
InChIInChI=1S/C11H24O5P2S/c1-9(2)14-18(19,15-10(3)4)16-17-12-7-11(5,6)8-13-17/h9-10H,7-8H2,1-6H3
InChIKeyZIXUTHHJXVDMSS-UHFFFAOYSA-N
XLogP4.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane (CID 939784) is (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane is CC(C)OP(=S)(OC(C)C)OP1OCC(C)(C)CO1.
What is the InChIKey of (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is ZIXUTHHJXVDMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5P2S/c1-9(2)14-18(19,15-10(3)4)16-17-12-7-11(5,6)8-13-17/h9-10H,7-8H2,1-6H3.
What are the key properties of (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane?
(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 330.32 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 939784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).