(2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

C15H30O4 — CID 167640782

IUPAC(2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESC[C@@H]1O[C@H](COC(C)(C)C)[C@H](COC(C)(C)C)[C@@H]1O
InChIInChI=1S/C15H30O4/c1-10-13(16)11(8-17-14(2,3)4)12(19-10)9-18-15(5,6)7/h10-13,16H,8-9H2,1-7H3/t10-,11-,12+,13+/m0/s1
InChIKeyGHLPOVCFYUMKKZ-WUHRBBMRSA-N
MW274.40 g/mol
LogP2.38
Rot. Bonds4

About (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

(2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (PubChem CID 167640782) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
PubChem CID167640782
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name(2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESC[C@@H]1O[C@H](COC(C)(C)C)[C@H](COC(C)(C)C)[C@@H]1O
InChIInChI=1S/C15H30O4/c1-10-13(16)11(8-17-14(2,3)4)12(19-10)9-18-15(5,6)7/h10-13,16H,8-9H2,1-7H3/t10-,11-,12+,13+/m0/s1
InChIKeyGHLPOVCFYUMKKZ-WUHRBBMRSA-N
XLogP2.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-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

4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 122537677
(2S,3S,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 159631615
(2R,3R,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2R,3R,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 159631618
6-[(2-methylpropan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
CID 90907126
(2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-3-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 163451240
(2S,3S,5R)-2-(2,2-dimethylpropyl)-5-methyloxolane-3,4-diol
CID 160706995
(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
CID 88976527
2-[(2-methylpropan-2-yl)oxymethyl]-6-propan-2-yloxyoxane-3,4,5-triol
CID 134475233
3-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-1,4-dioxane-2,6-diol;ethane
CID 158324096
2-tert-butyl-6-[[3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 58624972
(2S,4R,5S)-2-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 129087463
actinium;2-(bromomethyl)-6-methyloxane-3,4,5-triol
CID 20816009

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The IUPAC name of (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (CID 167640782) is (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.
What is the SMILES notation for (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The canonical SMILES for (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is C[C@@H]1O[C@H](COC(C)(C)C)[C@H](COC(C)(C)C)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The InChIKey is GHLPOVCFYUMKKZ-WUHRBBMRSA-N. The full InChI is InChI=1S/C15H30O4/c1-10-13(16)11(8-17-14(2,3)4)12(19-10)9-18-15(5,6)7/h10-13,16H,8-9H2,1-7H3/t10-,11-,12+,13+/m0/s1.
What are the key properties of (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
(2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol has a molecular weight of 274.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is sourced from PubChem (CID 167640782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).