(2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde

C11H20O4 — CID 10900042

IUPAC(2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde
SMILESCO[C@@H]1O[C@@H]([C@@H](C=O)OC)[C@H](C)C[C@@H]1C
InChIInChI=1S/C11H20O4/c1-7-5-8(2)11(14-4)15-10(7)9(6-12)13-3/h6-11H,5H2,1-4H3/t7-,8+,9-,10-,11-/m1/s1
InChIKeyMUPIOHVHQSZFQW-RCZSTQMZSA-N
MW216.28 g/mol
LogP1.23
Rot. Bonds4

About (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde

(2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde (PubChem CID 10900042) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name(2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde
PubChem CID10900042
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde
SMILESCO[C@@H]1O[C@@H]([C@@H](C=O)OC)[C@H](C)C[C@@H]1C
InChIInChI=1S/C11H20O4/c1-7-5-8(2)11(14-4)15-10(7)9(6-12)13-3/h6-11H,5H2,1-4H3/t7-,8+,9-,10-,11-/m1/s1
InChIKeyMUPIOHVHQSZFQW-RCZSTQMZSA-N
XLogP1.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde with MolForge

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Related Compounds

(2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal
CID 134854754
(2R,3S)-2-methyl-3-[3-methyl-3-(oxan-2-yloxy)butyl]oxirane-2-carbaldehyde
CID 21626841
(2R,3R)-3-methoxy-3-methyl-2-(oxan-2-yloxy)heptanal
CID 88610605
(6-Propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate
CID 142247778
(2S,3S,5R,6S)-3,6-dimethoxy-5-methyloxane-2-carbaldehyde
CID 10559509
(2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal
CID 10560666
2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]acetaldehyde
CID 11096366
(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
CID 11311460
3,6-Dimethoxy-5-methyloxane-2-carbaldehyde
CID 85185675
2-(6-Methoxy-4-methyloxan-2-yl)acetaldehyde
CID 130035246
(2S,3S,5R,6R)-3,6-dimethoxy-5-methyloxane-2-carbaldehyde
CID 130788156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde?
The IUPAC name of (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde (CID 10900042) is (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde.
What is the SMILES notation for (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde?
The canonical SMILES for (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde is CO[C@@H]1O[C@@H]([C@@H](C=O)OC)[C@H](C)C[C@@H]1C.
What is the InChIKey of (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde?
The InChIKey is MUPIOHVHQSZFQW-RCZSTQMZSA-N. The full InChI is InChI=1S/C11H20O4/c1-7-5-8(2)11(14-4)15-10(7)9(6-12)13-3/h6-11H,5H2,1-4H3/t7-,8+,9-,10-,11-/m1/s1.
What are the key properties of (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde?
(2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde has a molecular weight of 216.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-[(2R,3R,5S,6R)-6-methoxy-3,5-dimethyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 10900042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).