dipropan-2-yl benzene-1,2-dicarboxylate

C14H18O4 — CID 11799

IUPACdipropan-2-yl benzene-1,2-dicarboxylate
SMILESCC(C)OC(=O)c1ccccc1C(=O)OC(C)C
InChIInChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
InChIKeyQWDBCIAVABMJPP-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.82
Rot. Bonds4

About dipropan-2-yl benzene-1,2-dicarboxylate

dipropan-2-yl benzene-1,2-dicarboxylate (PubChem CID 11799) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is dipropan-2-yl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl benzene-1,2-dicarboxylate
PubChem CID11799
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namedipropan-2-yl benzene-1,2-dicarboxylate
SMILESCC(C)OC(=O)c1ccccc1C(=O)OC(C)C
InChIInChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
InChIKeyQWDBCIAVABMJPP-UHFFFAOYSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl Benzoate
CID 2345
Dibutyl Phthalate
CID 3026
Diethyl Phthalate
CID 6781
Butylphthalide
CID 61361
Dimethyl Phthalate
CID 8554
Phthalic Anhydride
CID 6811
Methyl Benzoate
CID 7150
di-N-Octyl Phthalate
CID 8346
Diisodecyl Phthalate
CID 33599
Dicyclohexyl phthalate
CID 6777
Butyl Benzyl Phthalate
CID 2347
Diisobutyl phthalate
CID 6782

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl benzene-1,2-dicarboxylate?
The IUPAC name of dipropan-2-yl benzene-1,2-dicarboxylate (CID 11799) is dipropan-2-yl benzene-1,2-dicarboxylate.
What is the SMILES notation for dipropan-2-yl benzene-1,2-dicarboxylate?
The canonical SMILES for dipropan-2-yl benzene-1,2-dicarboxylate is CC(C)OC(=O)c1ccccc1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl benzene-1,2-dicarboxylate?
The InChIKey is QWDBCIAVABMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3.
What are the key properties of dipropan-2-yl benzene-1,2-dicarboxylate?
dipropan-2-yl benzene-1,2-dicarboxylate has a molecular weight of 250.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl benzene-1,2-dicarboxylate is sourced from PubChem (CID 11799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).