2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde

C11H18O5 — CID 163516122

IUPAC2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde
SMILESCCC1O[C@@](C)(OCC=O)C(O)=C(O)C1C
InChIInChI=1S/C11H18O5/c1-4-8-7(2)9(13)10(14)11(3,16-8)15-6-5-12/h5,7-8,13-14H,4,6H2,1-3H3/t7?,8?,11-/m1/s1
InChIKeyDGXHPQICSVJWTE-OIAXGBPSSA-N
MW230.26 g/mol
LogP1.69
Rot. Bonds4

About 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde

2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde (PubChem CID 163516122) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde.

Molecular Properties

Compound Name2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde
PubChem CID163516122
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde
SMILESCCC1O[C@@](C)(OCC=O)C(O)=C(O)C1C
InChIInChI=1S/C11H18O5/c1-4-8-7(2)9(13)10(14)11(3,16-8)15-6-5-12/h5,7-8,13-14H,4,6H2,1-3H3/t7?,8?,11-/m1/s1
InChIKeyDGXHPQICSVJWTE-OIAXGBPSSA-N
XLogP1.69
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde?
The IUPAC name of 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde (CID 163516122) is 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde.
What is the SMILES notation for 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde?
The canonical SMILES for 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde is CCC1O[C@@](C)(OCC=O)C(O)=C(O)C1C.
What is the InChIKey of 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde?
The InChIKey is DGXHPQICSVJWTE-OIAXGBPSSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-8-7(2)9(13)10(14)11(3,16-8)15-6-5-12/h5,7-8,13-14H,4,6H2,1-3H3/t7?,8?,11-/m1/s1.
What are the key properties of 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde?
2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde has a molecular weight of 230.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-2-ethyl-4,5-dihydroxy-3,6-dimethyl-2,3-dihydropyran-6-yl]oxy]acetaldehyde is sourced from PubChem (CID 163516122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).