4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane

C14H25O3PS — CID 58900644

IUPAC4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane
SMILESOP1(=S)OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C14H25O3PS/c15-18(19)16-13(11-7-3-1-4-8-11)14(17-18)12-9-5-2-6-10-12/h11-14H,1-10H2,(H,15,19)
InChIKeyGPUIYMKYKOIJNN-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.15
Rot. Bonds2

About 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane

4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane (PubChem CID 58900644) has the molecular formula C14H25O3PS and a molecular weight of 304.39 g/mol. Its IUPAC name is 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane.

Molecular Properties

Compound Name4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane
PubChem CID58900644
Molecular FormulaC14H25O3PS
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane
SMILESOP1(=S)OC(C2CCCCC2)C(C2CCCCC2)O1
InChIInChI=1S/C14H25O3PS/c15-18(19)16-13(11-7-3-1-4-8-11)14(17-18)12-9-5-2-6-10-12/h11-14H,1-10H2,(H,15,19)
InChIKeyGPUIYMKYKOIJNN-UHFFFAOYSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
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 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
The IUPAC name of 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane (CID 58900644) is 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane.
What is the SMILES notation for 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
The canonical SMILES for 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane is OP1(=S)OC(C2CCCCC2)C(C2CCCCC2)O1.
What is the InChIKey of 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
The InChIKey is GPUIYMKYKOIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O3PS/c15-18(19)16-13(11-7-3-1-4-8-11)14(17-18)12-9-5-2-6-10-12/h11-14H,1-10H2,(H,15,19).
What are the key properties of 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane?
4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane has a molecular weight of 304.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyclohexyl-2-hydroxy-2-sulfanylidene-1,3,2λ5-dioxaphospholane is sourced from PubChem (CID 58900644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).