(8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one

C12H22O5 — CID 11746928

IUPAC(8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one
SMILESCOCO[C@@H]1CCCC(O)CC(=O)O[C@H](C)C1
InChIInChI=1S/C12H22O5/c1-9-6-11(16-8-15-2)5-3-4-10(13)7-12(14)17-9/h9-11,13H,3-8H2,1-2H3/t9-,10?,11-/m1/s1
InChIKeyBTLRQGHOPLLABF-GLYLRITDSA-N
MW246.30 g/mol
LogP1.23
Rot. Bonds3

About (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one

(8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one (PubChem CID 11746928) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one.

Molecular Properties

Compound Name(8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one
PubChem CID11746928
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one
SMILESCOCO[C@@H]1CCCC(O)CC(=O)O[C@H](C)C1
InChIInChI=1S/C12H22O5/c1-9-6-11(16-8-15-2)5-3-4-10(13)7-12(14)17-9/h9-11,13H,3-8H2,1-2H3/t9-,10?,11-/m1/s1
InChIKeyBTLRQGHOPLLABF-GLYLRITDSA-N
XLogP1.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-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 (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one?
The IUPAC name of (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one (CID 11746928) is (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one.
What is the SMILES notation for (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one?
The canonical SMILES for (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one is COCO[C@@H]1CCCC(O)CC(=O)O[C@H](C)C1.
What is the InChIKey of (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one?
The InChIKey is BTLRQGHOPLLABF-GLYLRITDSA-N. The full InChI is InChI=1S/C12H22O5/c1-9-6-11(16-8-15-2)5-3-4-10(13)7-12(14)17-9/h9-11,13H,3-8H2,1-2H3/t9-,10?,11-/m1/s1.
What are the key properties of (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one?
(8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one has a molecular weight of 246.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10R)-4-hydroxy-8-(methoxymethoxy)-10-methyloxecan-2-one is sourced from PubChem (CID 11746928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).