ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate

C24H30O4 — CID 10714932

IUPACethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate
SMILESCCOC(=O)CC1(OCC)CCC(c2ccc(C)cc2)(c2ccc(C)cc2)O1
InChIInChI=1S/C24H30O4/c1-5-26-22(25)17-23(27-6-2)15-16-24(28-23,20-11-7-18(3)8-12-20)21-13-9-19(4)10-14-21/h7-14H,5-6,15-17H2,1-4H3
InChIKeySTGRJYYOFZGNHU-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.04
Rot. Bonds7

About ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate

ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate (PubChem CID 10714932) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate
PubChem CID10714932
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Nameethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate
SMILESCCOC(=O)CC1(OCC)CCC(c2ccc(C)cc2)(c2ccc(C)cc2)O1
InChIInChI=1S/C24H30O4/c1-5-26-22(25)17-23(27-6-2)15-16-24(28-23,20-11-7-18(3)8-12-20)21-13-9-19(4)10-14-21/h7-14H,5-6,15-17H2,1-4H3
InChIKeySTGRJYYOFZGNHU-UHFFFAOYSA-N
XLogP5.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate?
The IUPAC name of ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate (CID 10714932) is ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate?
The canonical SMILES for ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate is CCOC(=O)CC1(OCC)CCC(c2ccc(C)cc2)(c2ccc(C)cc2)O1.
What is the InChIKey of ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate?
The InChIKey is STGRJYYOFZGNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-5-26-22(25)17-23(27-6-2)15-16-24(28-23,20-11-7-18(3)8-12-20)21-13-9-19(4)10-14-21/h7-14H,5-6,15-17H2,1-4H3.
What are the key properties of ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate?
ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate has a molecular weight of 382.50 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-ethoxy-5,5-bis(4-methylphenyl)oxolan-2-yl]acetate is sourced from PubChem (CID 10714932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).