(2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal

C11H20O4 — CID 10560666

IUPAC(2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal
SMILESCO[C@H]1O[C@H](C[C@@H](C=O)OC)CC[C@H]1C
InChIInChI=1S/C11H20O4/c1-8-4-5-9(15-11(8)14-3)6-10(7-12)13-2/h7-11H,4-6H2,1-3H3/t8-,9+,10+,11+/m1/s1
InChIKeyDZRDUYMGMGRSQE-RCWTZXSCSA-N
MW216.28 g/mol
LogP1.38
Rot. Bonds5

About (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal

(2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal (PubChem CID 10560666) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal.

Molecular Properties

Compound Name(2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal
PubChem CID10560666
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal
SMILESCO[C@H]1O[C@H](C[C@@H](C=O)OC)CC[C@H]1C
InChIInChI=1S/C11H20O4/c1-8-4-5-9(15-11(8)14-3)6-10(7-12)13-2/h7-11H,4-6H2,1-3H3/t8-,9+,10+,11+/m1/s1
InChIKeyDZRDUYMGMGRSQE-RCWTZXSCSA-N
XLogP1.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxane-4-carboxaldehyde, 2-(1,1-dimethylethyl)-5-hexyl-6-oxo-, (2S,4R,5S)-
CID 11391587
(2S,3S,5R,6S)-6-methoxy-3,5-dimethyloxane-2-carbaldehyde
CID 131168062
3-[(2S,3R,4S,5R,6R)-6-methoxy-4-(methoxymethoxy)-3,5-dimethyloxan-2-yl]propanal
CID 11821346
3-[6-Methoxy-4-(methoxymethoxy)-3,5-dimethyloxan-2-yl]propanal
CID 21923417
3-[(2S,3S,4S,5R,6R)-6-methoxy-4-(methoxymethoxy)-3,5-dimethyloxan-2-yl]propanal
CID 87287016
[(2S,4S,5S)-2-(2,2-dimethylpropyl)-6-formyl-4-hydroxy-5-methyloxan-2-yl] formate
CID 118909426
6-[2-(2-Hydroxypropan-2-yloxy)-7,9-dimethylundecyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 123291310
(4S,6S)-6-[[(4S,6R)-6-(3-ethyl-5-methylheptyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 144843584
[(2S,5S)-2-(2,2-dimethylpropyl)-6-formyl-4-hydroxy-5-methyloxan-2-yl] formate
CID 165054522
2-Cyclohexyl-2-(oxan-2-yloxy)acetaldehyde
CID 173324171
[(2R,4R,5R,6R)-6-acetyloxy-2-formyl-2,5-dimethyloxan-4-yl] acetate
CID 10445219
(3S)-4-[(2S,5R,6S)-6-hydroxy-5-methyloxan-2-yl]-3-methoxybutan-2-one
CID 10512896

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal?
The IUPAC name of (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal (CID 10560666) is (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal.
What is the SMILES notation for (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal?
The canonical SMILES for (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal is CO[C@H]1O[C@H](C[C@@H](C=O)OC)CC[C@H]1C.
What is the InChIKey of (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal?
The InChIKey is DZRDUYMGMGRSQE-RCWTZXSCSA-N. The full InChI is InChI=1S/C11H20O4/c1-8-4-5-9(15-11(8)14-3)6-10(7-12)13-2/h7-11H,4-6H2,1-3H3/t8-,9+,10+,11+/m1/s1.
What are the key properties of (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal?
(2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal has a molecular weight of 216.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-3-[(2S,5R,6S)-6-methoxy-5-methyloxan-2-yl]propanal is sourced from PubChem (CID 10560666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).