(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one

C10H18O3 — CID 163073070

IUPAC(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one
SMILESCC[C@@H](C)C[C@H]1C(=O)O[C@@H](C)[C@@H]1O
InChIInChI=1S/C10H18O3/c1-4-6(2)5-8-9(11)7(3)13-10(8)12/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9+/m1/s1
InChIKeyXLTJPTCOHHVWLA-XAVMHZPKSA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds3

About (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one

(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one (PubChem CID 163073070) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one
PubChem CID163073070
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one
SMILESCC[C@@H](C)C[C@H]1C(=O)O[C@@H](C)[C@@H]1O
InChIInChI=1S/C10H18O3/c1-4-6(2)5-8-9(11)7(3)13-10(8)12/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9+/m1/s1
InChIKeyXLTJPTCOHHVWLA-XAVMHZPKSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one
CID 11745340
(3S,4R,5R)-4-hydroxy-5-methyl-3-tetradecyloxolan-2-one
CID 11077856
(3R,4R,5R)-3-(2-methylbutyl)-4,5-diphenyloxolan-2-one
CID 15305341
3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162846785
(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one
CID 90338107
(3S,4R,5R)-4-hydroxy-3-icos-19-en-11-ynyl-5-methyloxolan-2-one;(3S,4R,5R)-4-hydroxy-3-icos-11-ynyl-5-methyloxolan-2-one
CID 6712595
(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one
CID 58151972
(3S,4R,5R)-3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927798
3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927797
(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one
CID 58594793
ethane;2-methyl-3-(2-methylbutyl)oxirane
CID 143374675
(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one
CID 142893830

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one?
The IUPAC name of (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one (CID 163073070) is (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one?
The canonical SMILES for (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one is CC[C@@H](C)C[C@H]1C(=O)O[C@@H](C)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one?
The InChIKey is XLTJPTCOHHVWLA-XAVMHZPKSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6(2)5-8-9(11)7(3)13-10(8)12/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9+/m1/s1.
What are the key properties of (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one?
(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one is sourced from PubChem (CID 163073070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).