bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate

C19H18O4 — CID 53236040

IUPACbis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate
SMILESC=CCOC(=O)c1cc2ccccc2c(C(=O)OCC=C)c1C
InChIInChI=1S/C19H18O4/c1-4-10-22-18(20)16-12-14-8-6-7-9-15(14)17(13(16)3)19(21)23-11-5-2/h4-9,12H,1-2,10-11H2,3H3
InChIKeyVWAHCCVUSSNEJQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.83
Rot. Bonds6

About bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate

bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate (PubChem CID 53236040) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate
PubChem CID53236040
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namebis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate
SMILESC=CCOC(=O)c1cc2ccccc2c(C(=O)OCC=C)c1C
InChIInChI=1S/C19H18O4/c1-4-10-22-18(20)16-12-14-8-6-7-9-15(14)17(13(16)3)19(21)23-11-5-2/h4-9,12H,1-2,10-11H2,3H3
InChIKeyVWAHCCVUSSNEJQ-UHFFFAOYSA-N
XLogP3.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate (CID 53236040) is bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate is C=CCOC(=O)c1cc2ccccc2c(C(=O)OCC=C)c1C.
What is the InChIKey of bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate?
The InChIKey is VWAHCCVUSSNEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-4-10-22-18(20)16-12-14-8-6-7-9-15(14)17(13(16)3)19(21)23-11-5-2/h4-9,12H,1-2,10-11H2,3H3.
What are the key properties of bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate?
bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate is sourced from PubChem (CID 53236040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).