(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol

C8H16O3 — CID 10441964

IUPAC(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol
SMILESC[C@@H]1[C@@H]([C@H](C)CO)OC[C@@H]1O
InChIInChI=1S/C8H16O3/c1-5(3-9)8-6(2)7(10)4-11-8/h5-10H,3-4H2,1-2H3/t5-,6+,7+,8-/m1/s1
InChIKeyUBYWOCTVOLCNLJ-VGRMVHKJSA-N
MW160.21 g/mol
LogP0.01
Rot. Bonds2

About (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol

(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol (PubChem CID 10441964) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol
PubChem CID10441964
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol
SMILESC[C@@H]1[C@@H]([C@H](C)CO)OC[C@@H]1O
InChIInChI=1S/C8H16O3/c1-5(3-9)8-6(2)7(10)4-11-8/h5-10H,3-4H2,1-2H3/t5-,6+,7+,8-/m1/s1
InChIKeyUBYWOCTVOLCNLJ-VGRMVHKJSA-N
XLogP0.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-propan-2-yloxane-3,5-diol
CID 76796357
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478
5-methyl-6-propan-2-yloxane-3,4-diol
CID 118603929
2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol
CID 89374322
(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane
CID 130283506
(3S)-2-[(1R)-1,2-dihydroxyethyl]oxane-3,4,5-triol
CID 67951819
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
5-(1-hydroxypropan-2-yl)oxolan-3-ol
CID 20778564
2-(1-hydroxypropan-2-yl)cyclohexan-1-ol
CID 130503401
(2S,3R,4S)-2-[(1R)-1-hydroxyethyl]oxolane-3,4-diol
CID 18667402
(2S)-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 129384933
(2S)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propan-1-ol
CID 11054609

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol?
The IUPAC name of (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol (CID 10441964) is (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol.
What is the SMILES notation for (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol?
The canonical SMILES for (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol is C[C@@H]1[C@@H]([C@H](C)CO)OC[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol?
The InChIKey is UBYWOCTVOLCNLJ-VGRMVHKJSA-N. The full InChI is InChI=1S/C8H16O3/c1-5(3-9)8-6(2)7(10)4-11-8/h5-10H,3-4H2,1-2H3/t5-,6+,7+,8-/m1/s1.
What are the key properties of (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol?
(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol is sourced from PubChem (CID 10441964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).