benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate

C20H20O4 — CID 175510564

IUPACbenzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
SMILESC=CCOC(=O)c1cccc(C(=O)OCC=C)c1.c1ccccc1
InChIInChI=1S/C14H14O4.C6H6/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2;1-2-4-6-5-3-1/h3-7,10H,1-2,8-9H2;1-6H
InChIKeyOPBYJVFJCMNLPI-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.06
Rot. Bonds6

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

benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate (PubChem CID 175510564) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namebenzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
PubChem CID175510564
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Namebenzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
SMILESC=CCOC(=O)c1cccc(C(=O)OCC=C)c1.c1ccccc1
InChIInChI=1S/C14H14O4.C6H6/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2;1-2-4-6-5-3-1/h3-7,10H,1-2,8-9H2;1-6H
InChIKeyOPBYJVFJCMNLPI-UHFFFAOYSA-N
XLogP4.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.06
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

prop-2-enyl 3-phenylbenzoate
CID 22594829
prop-2-enyl 3-aminobenzoate;hydrochloride
CID 18930598
formic acid;prop-2-enyl benzoate
CID 174813743
prop-2-enyl 3-(prop-2-enoxymethyl)benzoate
CID 167216465
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
3-[2-[3-[3-(3-prop-2-enoxypropoxy)propoxy]propoxy]ethoxycarbonyl]benzoic acid
CID 175525033
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate
CID 69448726
diethyl benzene-1,3-dicarboxylate
CID 12491
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid
CID 174407179

Frequently Asked Questions

What is the IUPAC name of benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate?
The IUPAC name of benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate (CID 175510564) is benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate.
What is the SMILES notation for benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate?
The canonical SMILES for benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate is C=CCOC(=O)c1cccc(C(=O)OCC=C)c1.c1ccccc1.
What is the InChIKey of benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate?
The InChIKey is OPBYJVFJCMNLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4.C6H6/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2;1-2-4-6-5-3-1/h3-7,10H,1-2,8-9H2;1-6H.
What are the key properties of benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate?
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate has a molecular weight of 324.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate is sourced from PubChem (CID 175510564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).