dipropyl 5-methoxybenzene-1,3-dicarboxylate

C15H20O5 — CID 20702798

IUPACdipropyl 5-methoxybenzene-1,3-dicarboxylate
SMILESCCCOC(=O)c1cc(OC)cc(C(=O)OCCC)c1
InChIInChI=1S/C15H20O5/c1-4-6-19-14(16)11-8-12(10-13(9-11)18-3)15(17)20-7-5-2/h8-10H,4-7H2,1-3H3
InChIKeyCKBVBJYHIJWCHF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.83
Rot. Bonds7

About dipropyl 5-methoxybenzene-1,3-dicarboxylate

dipropyl 5-methoxybenzene-1,3-dicarboxylate (PubChem CID 20702798) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is dipropyl 5-methoxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedipropyl 5-methoxybenzene-1,3-dicarboxylate
PubChem CID20702798
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namedipropyl 5-methoxybenzene-1,3-dicarboxylate
SMILESCCCOC(=O)c1cc(OC)cc(C(=O)OCCC)c1
InChIInChI=1S/C15H20O5/c1-4-6-19-14(16)11-8-12(10-13(9-11)18-3)15(17)20-7-5-2/h8-10H,4-7H2,1-3H3
InChIKeyCKBVBJYHIJWCHF-UHFFFAOYSA-N
XLogP2.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dipropyl 5-aminobenzene-1,3-dicarboxylate
CID 71344952
propyl 3,5-dimethoxybenzenecarboperoxoate
CID 173266062
2-iodoethyl 3,5-dimethoxybenzoate
CID 21411148
dipropyl 5-iodobenzene-1,3-dicarboxylate
CID 125479527
3-ethoxycarbonyl-5-methoxybenzoic acid
CID 15472357
bis[4-(4-tetradecoxycarbonylphenoxy)carbonylphenyl] 5-methoxybenzene-1,3-dicarboxylate
CID 102179326
propyl 3,4,5-trihydroxybenzoate
CID 4947
2-propylsulfonylethyl 3-amino-5-methoxybenzoate
CID 106728853
propyl 3,5-ditert-butylbenzoate
CID 70182189
propyl 3,4,5-trifluorobenzoate
CID 63186256
propyl 4-hydroxy-3,5-dimethylbenzoate
CID 70849133
lithium;3,5-bis(propoxycarbonyl)benzenesulfonic acid;hydride
CID 174500034

Frequently Asked Questions

What is the IUPAC name of dipropyl 5-methoxybenzene-1,3-dicarboxylate?
The IUPAC name of dipropyl 5-methoxybenzene-1,3-dicarboxylate (CID 20702798) is dipropyl 5-methoxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dipropyl 5-methoxybenzene-1,3-dicarboxylate?
The canonical SMILES for dipropyl 5-methoxybenzene-1,3-dicarboxylate is CCCOC(=O)c1cc(OC)cc(C(=O)OCCC)c1.
What is the InChIKey of dipropyl 5-methoxybenzene-1,3-dicarboxylate?
The InChIKey is CKBVBJYHIJWCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-4-6-19-14(16)11-8-12(10-13(9-11)18-3)15(17)20-7-5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of dipropyl 5-methoxybenzene-1,3-dicarboxylate?
dipropyl 5-methoxybenzene-1,3-dicarboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 5-methoxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 20702798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).