4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol

C9H19O4P — CID 143759548

IUPAC4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol
SMILESCOC1CC(C)(OC)C(O)(P)C(C)O1
InChIInChI=1S/C9H19O4P/c1-6-9(10,14)8(2,12-4)5-7(11-3)13-6/h6-7,10H,5,14H2,1-4H3
InChIKeySHTAENLVYPVUMB-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.74
Rot. Bonds2

About 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol

4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol (PubChem CID 143759548) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol.

Molecular Properties

Compound Name4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol
PubChem CID143759548
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol
SMILESCOC1CC(C)(OC)C(O)(P)C(C)O1
InChIInChI=1S/C9H19O4P/c1-6-9(10,14)8(2,12-4)5-7(11-3)13-6/h6-7,10H,5,14H2,1-4H3
InChIKeySHTAENLVYPVUMB-UHFFFAOYSA-N
XLogP0.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol 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

(2S,4R,6R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-one
CID 143150247
[(2S,3S,4R)-4-hydroxy-6-methoxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
CID 117066528
(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147
(2R,3S,4R,6R)-4-(dimethylamino)-6-methoxy-2-methyloxane-3,4-diol
CID 22887274
(3R,5S)-5-methoxy-3-methyldioxolan-3-ol
CID 11412410
4-methoxy-4,8-dimethyl-6-propan-2-yl-1,7-dioxaspiro[2.5]octane
CID 21349615
(2S,3R,4R,6R)-4-methoxy-3-(methoxymethyl)-2,4-dimethyl-6-propan-2-yloxan-3-ol
CID 59070474
N-[(2S,3S,4S,6R)-3-benzoyl-3-hydroxy-6-methoxy-2,4-dimethyloxan-4-yl]benzamide
CID 163053730
5-ethenyl-7-methoxy-1,6-dioxaspiro[2.5]octan-4-ol
CID 134385542
(3R,4R,5R,7S)-5-ethenyl-7-methoxy-1,6-dioxaspiro[2.5]octan-4-ol
CID 163791917
2-methoxy-3-methyloxiran-2-ol
CID 141190129
trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol
CID 102096583

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol?
The IUPAC name of 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol (CID 143759548) is 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol.
What is the SMILES notation for 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol?
The canonical SMILES for 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol is COC1CC(C)(OC)C(O)(P)C(C)O1.
What is the InChIKey of 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol?
The InChIKey is SHTAENLVYPVUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-6-9(10,14)8(2,12-4)5-7(11-3)13-6/h6-7,10H,5,14H2,1-4H3.
What are the key properties of 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol?
4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol has a molecular weight of 222.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol is sourced from PubChem (CID 143759548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).