(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one

C6H10O3 — CID 70587872

IUPAC(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one
SMILESCC1C[C@@H](CO)C(=O)O1
InChIInChI=1S/C6H10O3/c1-4-2-5(3-7)6(8)9-4/h4-5,7H,2-3H2,1H3/t4?,5-/m0/s1
InChIKeyPCIXRGHQVRSWNO-AKGZTFGVSA-N
MW130.14 g/mol
LogP-0.07
Rot. Bonds1

About (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one

(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one (PubChem CID 70587872) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one
PubChem CID70587872
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one
SMILESCC1C[C@@H](CO)C(=O)O1
InChIInChI=1S/C6H10O3/c1-4-2-5(3-7)6(8)9-4/h4-5,7H,2-3H2,1H3/t4?,5-/m0/s1
InChIKeyPCIXRGHQVRSWNO-AKGZTFGVSA-N
XLogP-0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one?
The IUPAC name of (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one (CID 70587872) is (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one?
The canonical SMILES for (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one is CC1C[C@@H](CO)C(=O)O1.
What is the InChIKey of (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one?
The InChIKey is PCIXRGHQVRSWNO-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-2-5(3-7)6(8)9-4/h4-5,7H,2-3H2,1H3/t4?,5-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one?
(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one has a molecular weight of 130.14 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-5-methyloxolan-2-one is sourced from PubChem (CID 70587872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).