(3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane

C15H30O4S — CID 118336374

IUPAC(3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane
SMILESCCCOC[C@H]1SC(OC)[C@H](OCCC)[C@H]1OCCC
InChIInChI=1S/C15H30O4S/c1-5-8-17-11-12-13(18-9-6-2)14(19-10-7-3)15(16-4)20-12/h12-15H,5-11H2,1-4H3/t12-,13+,14-,15?/m1/s1
InChIKeyYFPOCTGWXLDBPY-PEUVFPKISA-N
MW306.47 g/mol
LogP3.09
Rot. Bonds11

About (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane

(3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane (PubChem CID 118336374) has the molecular formula C15H30O4S and a molecular weight of 306.47 g/mol. Its IUPAC name is (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane.

Molecular Properties

Compound Name(3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane
PubChem CID118336374
Molecular FormulaC15H30O4S
Molecular Weight306.47 g/mol
Exact Mass306.19
IUPAC Name(3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane
SMILESCCCOC[C@H]1SC(OC)[C@H](OCCC)[C@H]1OCCC
InChIInChI=1S/C15H30O4S/c1-5-8-17-11-12-13(18-9-6-2)14(19-10-7-3)15(16-4)20-12/h12-15H,5-11H2,1-4H3/t12-,13+,14-,15?/m1/s1
InChIKeyYFPOCTGWXLDBPY-PEUVFPKISA-N
XLogP3.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane 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

Methyl-2,3,5-tri-O-methyl-4-thioalphad-arabinofuranoside
CID 6420579
[(2S,3S,4R)-3,4-diacetyloxy-5-methoxythiolan-2-yl]methyl acetate
CID 15538301
(2S,3R,4R,5R)-2-hexylsulfanyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 54378259
Arabinose diethyl thioacetal
CID 129678543
[4-Butoxy-2-(butoxymethyl)-5-sulfanyloxolan-3-yl] hypofluorite
CID 4980235
(1S,2R,3S,4S)-1-((2S,3S)-3-ethoxy-2,4-dihydroxybutyl)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydro-1H-thiophenium chloride
CID 54580835
(2R,3S,4S)-1-[(2S,3S)-2,4-dihydroxy-3-pentoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol
CID 127048701
[(2R,3R,4R)-3,4-diacetyloxy-5-ethylsulfanyloxolan-2-yl]methyl acetate
CID 11461356
[(2R,3S,4R)-3,4,5-triacetyloxythiolan-2-yl]methyl acetate
CID 53705621
4-(2-Ethoxyethoxy)-2-(2-methoxyethyl)thiolane
CID 57191058
(2S,3S,5S)-5-methyl-3-propan-2-yloxy-2-(propan-2-ylsulfanylmethyl)oxolane
CID 58566906
(2R,3S,5S)-3-methoxy-2-(methoxymethyl)-5-methyl-4-methylsulfanyloxolane
CID 60040891

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane?
The IUPAC name of (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane (CID 118336374) is (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane.
What is the SMILES notation for (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane?
The canonical SMILES for (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane is CCCOC[C@H]1SC(OC)[C@H](OCCC)[C@H]1OCCC.
What is the InChIKey of (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane?
The InChIKey is YFPOCTGWXLDBPY-PEUVFPKISA-N. The full InChI is InChI=1S/C15H30O4S/c1-5-8-17-11-12-13(18-9-6-2)14(19-10-7-3)15(16-4)20-12/h12-15H,5-11H2,1-4H3/t12-,13+,14-,15?/m1/s1.
What are the key properties of (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane?
(3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane has a molecular weight of 306.47 g/mol, XLogP of 3.09, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-2-methoxy-3,4-dipropoxy-5-(propoxymethyl)thiolane is sourced from PubChem (CID 118336374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).