(2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal

C10H16O3 — CID 13081515

IUPAC(2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal
SMILESC[C@@H]1C[C@H](C)[C@@H]([C@@H](C)C=O)OC1=O
InChIInChI=1S/C10H16O3/c1-6-4-7(2)10(12)13-9(6)8(3)5-11/h5-9H,4H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKeyNOQXZVKCFUOBCC-KZVJFYERSA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds2

About (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal

(2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal (PubChem CID 13081515) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal
PubChem CID13081515
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal
SMILESC[C@@H]1C[C@H](C)[C@@H]([C@@H](C)C=O)OC1=O
InChIInChI=1S/C10H16O3/c1-6-4-7(2)10(12)13-9(6)8(3)5-11/h5-9H,4H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKeyNOQXZVKCFUOBCC-KZVJFYERSA-N
XLogP1.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal with MolForge

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Related Compounds

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(3s,5r,6s)-3,5-Dimethyl-6-(methylethyl)-3,4,5,6-tetrahydropyran-2-one
CID 10012333
Prelactone B
CID 11105821
[(3S,4R,6R)-4,6-dimethyl-7-oxononan-3-yl] acetate
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Invictolide
CID 190558
6-Methyl-3-propan-2-yloxan-2-one
CID 575057
(3R,4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
CID 9989690
(3R,4R,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
CID 11344267
(3S,4S,6S)-3-dodecanoyl-4,6-dimethyloxan-2-one
CID 17752713
3-Dodecanoyl-4,6-dimethyloxan-2-one
CID 73408095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal?
The IUPAC name of (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal (CID 13081515) is (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal.
What is the SMILES notation for (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal?
The canonical SMILES for (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal is C[C@@H]1C[C@H](C)[C@@H]([C@@H](C)C=O)OC1=O.
What is the InChIKey of (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal?
The InChIKey is NOQXZVKCFUOBCC-KZVJFYERSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-4-7(2)10(12)13-9(6)8(3)5-11/h5-9H,4H2,1-3H3/t6-,7+,8-,9-/m0/s1.
What are the key properties of (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal?
(2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal has a molecular weight of 184.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal is sourced from PubChem (CID 13081515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).