bis(prop-2-enyl) naphthalene-1,2-dicarboxylate

C18H16O4 — CID 19710369

IUPACbis(prop-2-enyl) naphthalene-1,2-dicarboxylate
SMILESC=CCOC(=O)c1ccc2ccccc2c1C(=O)OCC=C
InChIInChI=1S/C18H16O4/c1-3-11-21-17(19)15-10-9-13-7-5-6-8-14(13)16(15)18(20)22-12-4-2/h3-10H,1-2,11-12H2
InChIKeyULSVRLSVOBIFMK-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.53
Rot. Bonds6

About bis(prop-2-enyl) naphthalene-1,2-dicarboxylate

bis(prop-2-enyl) naphthalene-1,2-dicarboxylate (PubChem CID 19710369) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is bis(prop-2-enyl) naphthalene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) naphthalene-1,2-dicarboxylate
PubChem CID19710369
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Namebis(prop-2-enyl) naphthalene-1,2-dicarboxylate
SMILESC=CCOC(=O)c1ccc2ccccc2c1C(=O)OCC=C
InChIInChI=1S/C18H16O4/c1-3-11-21-17(19)15-10-9-13-7-5-6-8-14(13)16(15)18(20)22-12-4-2/h3-10H,1-2,11-12H2
InChIKeyULSVRLSVOBIFMK-UHFFFAOYSA-N
XLogP3.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate
CID 53236040
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
bis(prop-2-enyl) 3,4-dibromobenzene-1,2-dicarboxylate
CID 71328987
diphenyl naphthalene-1,2-dicarboxylate
CID 22408719
prop-2-enyl 3-prop-2-enoyloxynaphthalene-2-carboxylate
CID 58097687
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
1-(2-sulfanylethoxycarbonyl)naphthalene-2-carboxylic acid
CID 139940813
bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate
CID 18996410
bis(iron(3+));tris(naphthalene-1,2-dicarboxylate)
CID 67068173
sodium 2-prop-2-enoxycarbonylphenolate
CID 66916174

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) naphthalene-1,2-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) naphthalene-1,2-dicarboxylate (CID 19710369) is bis(prop-2-enyl) naphthalene-1,2-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) naphthalene-1,2-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) naphthalene-1,2-dicarboxylate is C=CCOC(=O)c1ccc2ccccc2c1C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) naphthalene-1,2-dicarboxylate?
The InChIKey is ULSVRLSVOBIFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-3-11-21-17(19)15-10-9-13-7-5-6-8-14(13)16(15)18(20)22-12-4-2/h3-10H,1-2,11-12H2.
What are the key properties of bis(prop-2-enyl) naphthalene-1,2-dicarboxylate?
bis(prop-2-enyl) naphthalene-1,2-dicarboxylate has a molecular weight of 296.32 g/mol, XLogP of 3.53, 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) naphthalene-1,2-dicarboxylate is sourced from PubChem (CID 19710369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).