2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde

C8H14O4 — CID 142172480

IUPAC2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde
SMILESCC1OC(CC=O)CC(O)[C@H]1O
InChIInChI=1S/C8H14O4/c1-5-8(11)7(10)4-6(12-5)2-3-9/h3,5-8,10-11H,2,4H2,1H3/t5?,6?,7?,8-/m0/s1
InChIKeyIKFDUCZXIBURFI-AWEWAEBESA-N
MW174.20 g/mol
LogP-0.53
Rot. Bonds2

About 2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde

2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde (PubChem CID 142172480) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde
PubChem CID142172480
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde
SMILESCC1OC(CC=O)CC(O)[C@H]1O
InChIInChI=1S/C8H14O4/c1-5-8(11)7(10)4-6(12-5)2-3-9/h3,5-8,10-11H,2,4H2,1H3/t5?,6?,7?,8-/m0/s1
InChIKeyIKFDUCZXIBURFI-AWEWAEBESA-N
XLogP-0.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde (CID 142172480) is 2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde is CC1OC(CC=O)CC(O)[C@H]1O.
What is the InChIKey of 2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde?
The InChIKey is IKFDUCZXIBURFI-AWEWAEBESA-N. The full InChI is InChI=1S/C8H14O4/c1-5-8(11)7(10)4-6(12-5)2-3-9/h3,5-8,10-11H,2,4H2,1H3/t5?,6?,7?,8-/m0/s1.
What are the key properties of 2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde?
2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde has a molecular weight of 174.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 142172480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).