2,3-bis(prop-1-en-2-yl)terephthalate

C14H12O4-2 — CID 22222062

IUPAC2,3-bis(prop-1-en-2-yl)terephthalate
SMILESC=C(C)c1c(C(=O)[O-])ccc(C(=O)[O-])c1C(=C)C
InChIInChI=1S/C14H14O4/c1-7(2)11-9(13(15)16)5-6-10(14(17)18)12(11)8(3)4/h5-6H,1,3H2,2,4H3,(H,15,16)(H,17,18)/p-2
InChIKeyFZWNLEDZGIIYHE-UHFFFAOYSA-L
MW244.25 g/mol
LogP0.48
Rot. Bonds4

About 2,3-bis(prop-1-en-2-yl)terephthalate

2,3-bis(prop-1-en-2-yl)terephthalate (PubChem CID 22222062) has the molecular formula C14H12O4-2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2,3-bis(prop-1-en-2-yl)terephthalate.

Molecular Properties

Compound Name2,3-bis(prop-1-en-2-yl)terephthalate
PubChem CID22222062
Molecular FormulaC14H12O4-2
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2,3-bis(prop-1-en-2-yl)terephthalate
SMILESC=C(C)c1c(C(=O)[O-])ccc(C(=O)[O-])c1C(=C)C
InChIInChI=1S/C14H14O4/c1-7(2)11-9(13(15)16)5-6-10(14(17)18)12(11)8(3)4/h5-6H,1,3H2,2,4H3,(H,15,16)(H,17,18)/p-2
InChIKeyFZWNLEDZGIIYHE-UHFFFAOYSA-L
XLogP0.48
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetrakis(prop-1-en-2-yl)benzene
CID 19429816
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
3,5,6-tris(prop-1-en-2-yl)benzene-1,2,4-tricarboxylate
CID 19973295
lithium 2-prop-1-en-2-ylbenzoate
CID 102161119
2,3,6-tris(prop-1-en-2-yl)phenol
CID 101292776
trimagnesium bis(benzene-1,2,3-tricarboxylate)
CID 67068179
2-carbamoyl-3,4-dimethylbenzoate
CID 22769833
trisodium;4-propan-2-ylbenzene-1,2,3-tricarboxylate
CID 67715339
sodium 2,3-dicarboxybenzoate
CID 166682302
tripotassium;5-acetylbenzene-1,2,4-tricarboxylate;ethane
CID 176556714
disodium;3,4-diethylphthalate
CID 140970189
2-hydroxy-3-prop-1-en-2-ylbenzoic acid
CID 11423898

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-1-en-2-yl)terephthalate?
The IUPAC name of 2,3-bis(prop-1-en-2-yl)terephthalate (CID 22222062) is 2,3-bis(prop-1-en-2-yl)terephthalate.
What is the SMILES notation for 2,3-bis(prop-1-en-2-yl)terephthalate?
The canonical SMILES for 2,3-bis(prop-1-en-2-yl)terephthalate is C=C(C)c1c(C(=O)[O-])ccc(C(=O)[O-])c1C(=C)C.
What is the InChIKey of 2,3-bis(prop-1-en-2-yl)terephthalate?
The InChIKey is FZWNLEDZGIIYHE-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H14O4/c1-7(2)11-9(13(15)16)5-6-10(14(17)18)12(11)8(3)4/h5-6H,1,3H2,2,4H3,(H,15,16)(H,17,18)/p-2.
What are the key properties of 2,3-bis(prop-1-en-2-yl)terephthalate?
2,3-bis(prop-1-en-2-yl)terephthalate has a molecular weight of 244.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-1-en-2-yl)terephthalate is sourced from PubChem (CID 22222062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).