(diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane

C9H21O5PS — CID 88701296

IUPAC(diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane
SMILESCCS(CC)=P(O)(O)OCC1COCCO1
InChIInChI=1S/C9H21O5PS/c1-3-16(4-2)15(10,11)14-8-9-7-12-5-6-13-9/h9-11H,3-8H2,1-2H3
InChIKeyPWGRDFWDVBSZFI-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.74
Rot. Bonds5

About (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane

(diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane (PubChem CID 88701296) has the molecular formula C9H21O5PS and a molecular weight of 272.30 g/mol. Its IUPAC name is (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane.

Molecular Properties

Compound Name(diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane
PubChem CID88701296
Molecular FormulaC9H21O5PS
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name(diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane
SMILESCCS(CC)=P(O)(O)OCC1COCCO1
InChIInChI=1S/C9H21O5PS/c1-3-16(4-2)15(10,11)14-8-9-7-12-5-6-13-9/h9-11H,3-8H2,1-2H3
InChIKeyPWGRDFWDVBSZFI-UHFFFAOYSA-N
XLogP0.74
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane?
The IUPAC name of (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane (CID 88701296) is (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane.
What is the SMILES notation for (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane?
The canonical SMILES for (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane is CCS(CC)=P(O)(O)OCC1COCCO1.
What is the InChIKey of (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane?
The InChIKey is PWGRDFWDVBSZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O5PS/c1-3-16(4-2)15(10,11)14-8-9-7-12-5-6-13-9/h9-11H,3-8H2,1-2H3.
What are the key properties of (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane?
(diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane has a molecular weight of 272.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (diethyl-λ4-sulfanylidene)-(1,4-dioxan-2-ylmethoxy)-dihydroxy-λ5-phosphane is sourced from PubChem (CID 88701296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).