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

C13H24O3 — CID 134854754

IUPAC(2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal
SMILESCC(C)OC1O[C@H]([C@@H](C)C=O)C(C)CC1C
InChIInChI=1S/C13H24O3/c1-8(2)15-13-10(4)6-9(3)12(16-13)11(5)7-14/h7-13H,6H2,1-5H3/t9?,10?,11-,12-,13?/m0/s1
InChIKeyYINKDXONBNSUMH-DNDUJMJNSA-N
MW228.33 g/mol
LogP2.63
Rot. Bonds4

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

(2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal (PubChem CID 134854754) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal
PubChem CID134854754
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal
SMILESCC(C)OC1O[C@H]([C@@H](C)C=O)C(C)CC1C
InChIInChI=1S/C13H24O3/c1-8(2)15-13-10(4)6-9(3)12(16-13)11(5)7-14/h7-13H,6H2,1-5H3/t9?,10?,11-,12-,13?/m0/s1
InChIKeyYINKDXONBNSUMH-DNDUJMJNSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 13081518
(2R)-2-[(4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propanal
CID 87897708
5-but-3-en-2-yl-4-methyloxolan-2-ol
CID 130150445
cyclopropane;2-cyclopropylpropanal;2-methyloxirane
CID 174820303
(2S)-2-[(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinan-4-yl]propanal
CID 10913151
4-methyl-5-propan-2-yloxolan-2-ol
CID 85393181
1-methyl-2-propan-2-yloxycyclopropane
CID 56606917
(2S)-2-cyclopropylpropanal
CID 59475987
(2S,3R,5R,6R)-2-methyl-6-propan-2-yloxyoxane-3,5-diol
CID 130917816
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
[(3S,6R,7S)-4-hydroxy-6-(hydroxymethyl)-7-propan-2-yl-3-propan-2-yloxyoxepan-2-yl] formate
CID 174094136
2-(3-hydroxy-4-methylcyclohexyl)propanal
CID 130035363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal?
The IUPAC name of (2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal (CID 134854754) is (2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal.
What is the SMILES notation for (2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal?
The canonical SMILES for (2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal is CC(C)OC1O[C@H]([C@@H](C)C=O)C(C)CC1C.
What is the InChIKey of (2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal?
The InChIKey is YINKDXONBNSUMH-DNDUJMJNSA-N. The full InChI is InChI=1S/C13H24O3/c1-8(2)15-13-10(4)6-9(3)12(16-13)11(5)7-14/h7-13H,6H2,1-5H3/t9?,10?,11-,12-,13?/m0/s1.
What are the key properties of (2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal?
(2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal has a molecular weight of 228.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]propanal is sourced from PubChem (CID 134854754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).