[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate

C9H18O3 — CID 87499609

IUPAC[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate
SMILESCC(=O)O[C@H](C)COC(C)(C)C
InChIInChI=1S/C9H18O3/c1-7(12-8(2)10)6-11-9(3,4)5/h7H,6H2,1-5H3/t7-/m1/s1
InChIKeyJEIHSRORUWXJGF-SSDOTTSWSA-N
MW174.24 g/mol
LogP1.75
Rot. Bonds3

About [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate

[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate (PubChem CID 87499609) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate
PubChem CID87499609
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate
SMILESCC(=O)O[C@H](C)COC(C)(C)C
InChIInChI=1S/C9H18O3/c1-7(12-8(2)10)6-11-9(3,4)5/h7H,6H2,1-5H3/t7-/m1/s1
InChIKeyJEIHSRORUWXJGF-SSDOTTSWSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate
CID 150313177
1-[(2-methylpropan-2-yl)oxy]propan-2-yl (E)-2-methylbut-2-enoate
CID 91698187
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
1-[(2-methylpropan-2-yl)oxy]propan-2-yl nonanoate
CID 91693532
1-(2-acetyloxypropylselanyl)propan-2-yl acetate
CID 132988773
methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
1-(iodomethoxy)propan-2-yl acetate
CID 138608644
3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid
CID 87458955
1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 87296802
acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol
CID 174872279

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate?
The IUPAC name of [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate (CID 87499609) is [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate?
The canonical SMILES for [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate is CC(=O)O[C@H](C)COC(C)(C)C.
What is the InChIKey of [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate?
The InChIKey is JEIHSRORUWXJGF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(12-8(2)10)6-11-9(3,4)5/h7H,6H2,1-5H3/t7-/m1/s1.
What are the key properties of [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate?
[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate has a molecular weight of 174.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate is sourced from PubChem (CID 87499609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).