1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate

C10H18O4 — CID 150313177

IUPAC1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate
SMILESCC(=O)C(=O)OC(C)COC(C)(C)C
InChIInChI=1S/C10H18O4/c1-7(6-13-10(3,4)5)14-9(12)8(2)11/h7H,6H2,1-5H3
InChIKeyGMBCSEKCBZYRRL-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.32
Rot. Bonds4

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

1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate (PubChem CID 150313177) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate
PubChem CID150313177
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate
SMILESCC(=O)C(=O)OC(C)COC(C)(C)C
InChIInChI=1S/C10H18O4/c1-7(6-13-10(3,4)5)14-9(12)8(2)11/h7H,6H2,1-5H3
InChIKeyGMBCSEKCBZYRRL-UHFFFAOYSA-N
XLogP1.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate
CID 87499609
1-[(2-methylpropan-2-yl)oxy]propan-2-yl (E)-2-methylbut-2-enoate
CID 91698187
1-[(2-methylpropan-2-yl)oxy]propan-2-yl nonanoate
CID 91693532
3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid
CID 87458955
3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid
CID 87458831
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
1-O-decyl 5-O-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl] pentanedioate
CID 91706113
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
[3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate
CID 89076649
3,3,4-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 130214670
2-O-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl] 1-O-pentyl benzene-1,2-dicarboxylate
CID 91719693
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate (CID 150313177) is 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate is CC(=O)C(=O)OC(C)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate?
The InChIKey is GMBCSEKCBZYRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(6-13-10(3,4)5)14-9(12)8(2)11/h7H,6H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate?
1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate has a molecular weight of 202.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate is sourced from PubChem (CID 150313177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).