5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane

C13H27O3PS — CID 13054581

IUPAC5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane
SMILESCOP1(=S)C(C(C)C)OC(C(C)C)OC1C(C)C
InChIInChI=1S/C13H27O3PS/c1-8(2)11-15-12(9(3)4)17(18,14-7)13(16-11)10(5)6/h8-13H,1-7H3
InChIKeyWPKADVKDKCLAAU-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.02
Rot. Bonds4

About 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane

5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane (PubChem CID 13054581) has the molecular formula C13H27O3PS and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane.

Molecular Properties

Compound Name5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane
PubChem CID13054581
Molecular FormulaC13H27O3PS
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane
SMILESCOP1(=S)C(C(C)C)OC(C(C)C)OC1C(C)C
InChIInChI=1S/C13H27O3PS/c1-8(2)11-15-12(9(3)4)17(18,14-7)13(16-11)10(5)6/h8-13H,1-7H3
InChIKeyWPKADVKDKCLAAU-UHFFFAOYSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane 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

2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium
CID 12865666
(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
CID 101050085
6-propan-2-yl-1,3,5-trioxane-2,4-diamine
CID 163802342
[(4R,5R)-5-(amino(114C)methyl)-2-propan-2-yl-1,3-dioxolan-4-yl](114C)methanamine
CID 10442253
2-propan-2-yl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 177293546
diethyl (4S,5S)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate
CID 22852087
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
(2R,3S,4R,5S)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775725
(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775785
2,4-di(propan-2-yl)oxetan-3-amine
CID 135394203
5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane
CID 174678304

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane?
The IUPAC name of 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane (CID 13054581) is 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane.
What is the SMILES notation for 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane?
The canonical SMILES for 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane is COP1(=S)C(C(C)C)OC(C(C)C)OC1C(C)C.
What is the InChIKey of 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane?
The InChIKey is WPKADVKDKCLAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O3PS/c1-8(2)11-15-12(9(3)4)17(18,14-7)13(16-11)10(5)6/h8-13H,1-7H3.
What are the key properties of 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane?
5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane has a molecular weight of 294.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5lambda5-dioxaphosphinane is sourced from PubChem (CID 13054581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).