2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde

C6H12O3 — CID 87848931

IUPAC2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde
SMILESCC(C)(C)OC(O)C=O
InChIInChI=1S/C6H12O3/c1-6(2,3)9-5(8)4-7/h4-5,8H,1-3H3
InChIKeyJRVNFRORTSVRBB-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.32
Rot. Bonds2

About 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde

2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde (PubChem CID 87848931) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde
PubChem CID87848931
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde
SMILESCC(C)(C)OC(O)C=O
InChIInChI=1S/C6H12O3/c1-6(2,3)9-5(8)4-7/h4-5,8H,1-3H3
InChIKeyJRVNFRORTSVRBB-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2,2,2-tribromo-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 71341461
bis[(2-methylpropan-2-yl)oxy]methanol
CID 121276629
(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2-methylpropan-2-yl)oxy]hexanal
CID 118394063
tert-butyl (2S)-2-methyl-3-oxopropanoate
CID 58446027
tert-butyl N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 173092430
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate
CID 167170531
formamido 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 87726174
dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
CID 14143488
(2E)-5,5,5-trifluoro-2-[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethylidene]pentanoic acid
CID 171833577
2-(1-hydroxy-2-oxoethoxy)-3-methyl-4-oxobutanoic acid
CID 118099669
2,3-dihydroxy-3-methylbutanal
CID 71391745

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde?
The IUPAC name of 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde (CID 87848931) is 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde.
What is the SMILES notation for 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde?
The canonical SMILES for 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde is CC(C)(C)OC(O)C=O.
What is the InChIKey of 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde?
The InChIKey is JRVNFRORTSVRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(2,3)9-5(8)4-7/h4-5,8H,1-3H3.
What are the key properties of 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde?
2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde has a molecular weight of 132.16 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde is sourced from PubChem (CID 87848931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).