[(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate

C10H20O4 — CID 10932579

IUPAC[(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate
SMILESCC(=O)OC[C@@H](CO)COC(C)(C)C
InChIInChI=1S/C10H20O4/c1-8(12)13-6-9(5-11)7-14-10(2,3)4/h9,11H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyCRMDLGRWCRAYDK-SECBINFHSA-N
MW204.27 g/mol
LogP0.97
Rot. Bonds5

About [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate

[(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate (PubChem CID 10932579) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate
PubChem CID10932579
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name[(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate
SMILESCC(=O)OC[C@@H](CO)COC(C)(C)C
InChIInChI=1S/C10H20O4/c1-8(12)13-6-9(5-11)7-14-10(2,3)4/h9,11H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyCRMDLGRWCRAYDK-SECBINFHSA-N
XLogP0.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(hydroxymethyl)butyl] acetate
CID 58892806
3-(acetyloxymethyl)-4-hydroxybutanoic acid
CID 87535769
[2-(acetyloxymethyl)-4-hydroxy-4-methylpentyl] acetate
CID 122525309
[2-(acetyloxymethyl)-3-hydroxypropyl] pentanoate
CID 175693078
[2-(acetyloxymethyl)-4-hydroxybutyl] acetate
CID 10176610
[(2R)-2-[(4-tert-butylphenyl)methyl]-3-hydroxypropyl] acetate
CID 11832292
[3-bromo-2-(bromomethyl)propyl] acetate
CID 14664196
(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 55281826
[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate
CID 87499609
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
[4-hydroxy-3-(hydroxymethyl)butyl] acetate
CID 87761693
copper;2,3-dihydroxypropyl acetate
CID 175414462

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate?
The IUPAC name of [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate (CID 10932579) is [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate?
The canonical SMILES for [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate is CC(=O)OC[C@@H](CO)COC(C)(C)C.
What is the InChIKey of [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate?
The InChIKey is CRMDLGRWCRAYDK-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O4/c1-8(12)13-6-9(5-11)7-14-10(2,3)4/h9,11H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate?
[(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate has a molecular weight of 204.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]propyl] acetate is sourced from PubChem (CID 10932579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).