(6S)-6-(methoxymethyl)oxan-3-one

C7H12O3 — CID 168908404

IUPAC(6S)-6-(methoxymethyl)oxan-3-one
SMILESCOC[C@@H]1CCC(=O)CO1
InChIInChI=1S/C7H12O3/c1-9-5-7-3-2-6(8)4-10-7/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeySZZPYWFNJIKCQY-ZETCQYMHSA-N
MW144.17 g/mol
LogP0.38
Rot. Bonds2

About (6S)-6-(methoxymethyl)oxan-3-one

(6S)-6-(methoxymethyl)oxan-3-one (PubChem CID 168908404) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (6S)-6-(methoxymethyl)oxan-3-one.

Molecular Properties

Compound Name(6S)-6-(methoxymethyl)oxan-3-one
PubChem CID168908404
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(6S)-6-(methoxymethyl)oxan-3-one
SMILESCOC[C@@H]1CCC(=O)CO1
InChIInChI=1S/C7H12O3/c1-9-5-7-3-2-6(8)4-10-7/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeySZZPYWFNJIKCQY-ZETCQYMHSA-N
XLogP0.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(methoxymethyl)oxan-3-one?
The IUPAC name of (6S)-6-(methoxymethyl)oxan-3-one (CID 168908404) is (6S)-6-(methoxymethyl)oxan-3-one.
What is the SMILES notation for (6S)-6-(methoxymethyl)oxan-3-one?
The canonical SMILES for (6S)-6-(methoxymethyl)oxan-3-one is COC[C@@H]1CCC(=O)CO1.
What is the InChIKey of (6S)-6-(methoxymethyl)oxan-3-one?
The InChIKey is SZZPYWFNJIKCQY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-5-7-3-2-6(8)4-10-7/h7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (6S)-6-(methoxymethyl)oxan-3-one?
(6S)-6-(methoxymethyl)oxan-3-one has a molecular weight of 144.17 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(methoxymethyl)oxan-3-one is sourced from PubChem (CID 168908404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).