(2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol

C12H24O3 — CID 121444596

IUPAC(2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol
SMILESCC[C@@]1(C(C)(C)C)O[C@@H](C)[C@@H](O)[C@@H]1OC
InChIInChI=1S/C12H24O3/c1-7-12(11(3,4)5)10(14-6)9(13)8(2)15-12/h8-10,13H,7H2,1-6H3/t8-,9+,10-,12+/m0/s1
InChIKeyWOGUYMCRRUKVON-MIZYBKAJSA-N
MW216.32 g/mol
LogP1.98
Rot. Bonds2

About (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol

(2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol (PubChem CID 121444596) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol
PubChem CID121444596
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol
SMILESCC[C@@]1(C(C)(C)C)O[C@@H](C)[C@@H](O)[C@@H]1OC
InChIInChI=1S/C12H24O3/c1-7-12(11(3,4)5)10(14-6)9(13)8(2)15-12/h8-10,13H,7H2,1-6H3/t8-,9+,10-,12+/m0/s1
InChIKeyWOGUYMCRRUKVON-MIZYBKAJSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-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

(2R,3S,4R,5S,6S)-2-ethoxy-6-methyl-2-sulfanyloxane-3,4,5-triol
CID 174689500
[(1S,3S,4R)-7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 90132874
ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate
CID 143865006
(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
CID 129203156
(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium
CID 59687274
(2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
CID 90305083
(3S,4R,5R)-2-methoxy-5,6,6-trimethyloxane-3,4-diol
CID 58214742
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 89336790
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
(3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 88976557

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol?
The IUPAC name of (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol (CID 121444596) is (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol?
The canonical SMILES for (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol is CC[C@@]1(C(C)(C)C)O[C@@H](C)[C@@H](O)[C@@H]1OC.
What is the InChIKey of (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol?
The InChIKey is WOGUYMCRRUKVON-MIZYBKAJSA-N. The full InChI is InChI=1S/C12H24O3/c1-7-12(11(3,4)5)10(14-6)9(13)8(2)15-12/h8-10,13H,7H2,1-6H3/t8-,9+,10-,12+/m0/s1.
What are the key properties of (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol?
(2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol has a molecular weight of 216.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-5-tert-butyl-5-ethyl-4-methoxy-2-methyloxolan-3-ol is sourced from PubChem (CID 121444596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).