1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate

C15H22O4 — CID 171485491

IUPAC1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate
SMILESCOCC(COC)OC(=O)c1ccccc1C(C)C
InChIInChI=1S/C15H22O4/c1-11(2)13-7-5-6-8-14(13)15(16)19-12(9-17-3)10-18-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyPRGRQMLDVZCZLR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds7

About 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate

1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate (PubChem CID 171485491) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate.

Molecular Properties

Compound Name1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate
PubChem CID171485491
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate
SMILESCOCC(COC)OC(=O)c1ccccc1C(C)C
InChIInChI=1S/C15H22O4/c1-11(2)13-7-5-6-8-14(13)15(16)19-12(9-17-3)10-18-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyPRGRQMLDVZCZLR-UHFFFAOYSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethoxypropan-2-yl 2-methylbenzoate
CID 141353535
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
CID 14483657
2-[2-[2-(2-propan-2-ylbenzoyl)oxypropoxy]propoxy]propyl 2-propan-2-ylbenzoate
CID 23024578
(1-hydroxy-3-methoxypropan-2-yl) benzoate
CID 54162892
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
CID 23654554
1,3-diethoxypropan-2-yl 2-ethylbenzoate
CID 141430139
1,3-bis[(2-methoxybenzoyl)oxy]propan-2-yl 2-hydroxybenzoate
CID 71068223
1-O-(1,3-dimethoxypropan-2-yl) 2-O-ethyl 4-methylbenzene-1,2-dicarboxylate
CID 141353503
bis(1-ethenoxypropan-2-yl) benzene-1,2-dicarboxylate
CID 69119506
bis(6-ethyloctan-3-yl) benzene-1,2-dicarboxylate
CID 6424146
1-[2-[(2R)-2-amino-3-methoxypropyl]-3-propan-2-ylphenyl]ethanone
CID 130371601

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate?
The IUPAC name of 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate (CID 171485491) is 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate.
What is the SMILES notation for 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate?
The canonical SMILES for 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate is COCC(COC)OC(=O)c1ccccc1C(C)C.
What is the InChIKey of 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate?
The InChIKey is PRGRQMLDVZCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-11(2)13-7-5-6-8-14(13)15(16)19-12(9-17-3)10-18-4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate?
1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate has a molecular weight of 266.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypropan-2-yl 2-propan-2-ylbenzoate is sourced from PubChem (CID 171485491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).