2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate

C20H24O6-2 — CID 18377183

IUPAC2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate
SMILESCCC1(Cc2c(C(=O)[O-])ccc(C(=O)[O-])c2CC2(CC)COC2)COC1
InChIInChI=1S/C20H26O6/c1-3-19(9-25-10-19)7-15-13(17(21)22)5-6-14(18(23)24)16(15)8-20(4-2)11-26-12-20/h5-6H,3-4,7-12H2,1-2H3,(H,21,22)(H,23,24)/p-2
InChIKeyAYCSOHAPTXVGDM-UHFFFAOYSA-L
MW360.41 g/mol
LogP0.35
Rot. Bonds8

About 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate

2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate (PubChem CID 18377183) has the molecular formula C20H24O6-2 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate.

Molecular Properties

Compound Name2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate
PubChem CID18377183
Molecular FormulaC20H24O6-2
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate
SMILESCCC1(Cc2c(C(=O)[O-])ccc(C(=O)[O-])c2CC2(CC)COC2)COC1
InChIInChI=1S/C20H26O6/c1-3-19(9-25-10-19)7-15-13(17(21)22)5-6-14(18(23)24)16(15)8-20(4-2)11-26-12-20/h5-6H,3-4,7-12H2,1-2H3,(H,21,22)(H,23,24)/p-2
InChIKeyAYCSOHAPTXVGDM-UHFFFAOYSA-L
XLogP0.35
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate?
The IUPAC name of 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate (CID 18377183) is 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate.
What is the SMILES notation for 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate?
The canonical SMILES for 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate is CCC1(Cc2c(C(=O)[O-])ccc(C(=O)[O-])c2CC2(CC)COC2)COC1.
What is the InChIKey of 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate?
The InChIKey is AYCSOHAPTXVGDM-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H26O6/c1-3-19(9-25-10-19)7-15-13(17(21)22)5-6-14(18(23)24)16(15)8-20(4-2)11-26-12-20/h5-6H,3-4,7-12H2,1-2H3,(H,21,22)(H,23,24)/p-2.
What are the key properties of 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate?
2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate has a molecular weight of 360.41 g/mol, XLogP of 0.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(3-ethyloxetan-3-yl)methyl]terephthalate is sourced from PubChem (CID 18377183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).