(3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde

C10H16O4 — CID 57408602

IUPAC(3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde
SMILESCC(C)[C@@]1(C=O)CC[C@](C)(C=O)OO1
InChIInChI=1S/C10H16O4/c1-8(2)10(7-12)5-4-9(3,6-11)13-14-10/h6-8H,4-5H2,1-3H3/t9-,10+/m1/s1
InChIKeyPUTPAOLJYKEFJB-ZJUUUORDSA-N
MW200.23 g/mol
LogP1.28
Rot. Bonds3

About (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde

(3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde (PubChem CID 57408602) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde.

Molecular Properties

Compound Name(3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde
PubChem CID57408602
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde
SMILESCC(C)[C@@]1(C=O)CC[C@](C)(C=O)OO1
InChIInChI=1S/C10H16O4/c1-8(2)10(7-12)5-4-9(3,6-11)13-14-10/h6-8H,4-5H2,1-3H3/t9-,10+/m1/s1
InChIKeyPUTPAOLJYKEFJB-ZJUUUORDSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,6S)-4-ethyl-6-[(2S)-2-ethylhexyl]-6-methyldioxane-3-carbaldehyde
CID 46189217
(3S,4R,6S)-4-ethyl-6-(2-ethylbutyl)-6-methyldioxane-3-carbaldehyde
CID 46189218
(3S,4R,6R)-4-ethyl-6-[(2S)-2-ethylhexyl]-6-methyldioxane-3-carbaldehyde
CID 46189219
(3S,4R,6R)-4-ethyl-6-(2-ethylbutyl)-6-methyldioxane-3-carbaldehyde
CID 46189220
(3S,6R)-6-acetyl-3-methyldioxane-3-carbaldehyde
CID 57408480
methyl (3S,6S)-6-formyl-6-methyl-3-propan-2-yldioxane-3-carboxylate
CID 57408723
(3S)-6-ethyl-6-methyldioxane-3-carbaldehyde
CID 101485691
(3S)-6-methyl-6-propyldioxane-3-carbaldehyde
CID 101485692
(3S,6S)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde
CID 101572592

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde?
The IUPAC name of (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde (CID 57408602) is (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde.
What is the SMILES notation for (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde?
The canonical SMILES for (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde is CC(C)[C@@]1(C=O)CC[C@](C)(C=O)OO1.
What is the InChIKey of (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde?
The InChIKey is PUTPAOLJYKEFJB-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(2)10(7-12)5-4-9(3,6-11)13-14-10/h6-8H,4-5H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde?
(3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde has a molecular weight of 200.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-methyl-6-propan-2-yldioxane-3,6-dicarbaldehyde is sourced from PubChem (CID 57408602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).