(5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one

C12H20O4 — CID 138976076

IUPAC(5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
SMILESC[C@@H](O)[C@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1
InChIInChI=1S/C12H20O4/c1-8(13)11(2)6-4-9(15-11)12(3)7-5-10(14)16-12/h8-9,13H,4-7H2,1-3H3/t8-,9-,11+,12+/m1/s1
InChIKeyXGRWDNGIPZFLCD-LSKIRQOJSA-N
MW228.29 g/mol
LogP1.40
Rot. Bonds2

About (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one

(5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one (PubChem CID 138976076) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
PubChem CID138976076
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
SMILESC[C@@H](O)[C@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1
InChIInChI=1S/C12H20O4/c1-8(13)11(2)6-4-9(15-11)12(3)7-5-10(14)16-12/h8-9,13H,4-7H2,1-3H3/t8-,9-,11+,12+/m1/s1
InChIKeyXGRWDNGIPZFLCD-LSKIRQOJSA-N
XLogP1.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one?
The IUPAC name of (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one (CID 138976076) is (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one?
The canonical SMILES for (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one is C[C@@H](O)[C@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1.
What is the InChIKey of (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one?
The InChIKey is XGRWDNGIPZFLCD-LSKIRQOJSA-N. The full InChI is InChI=1S/C12H20O4/c1-8(13)11(2)6-4-9(15-11)12(3)7-5-10(14)16-12/h8-9,13H,4-7H2,1-3H3/t8-,9-,11+,12+/m1/s1.
What are the key properties of (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one?
(5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one has a molecular weight of 228.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 138976076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).