(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate

C15H22O5 — CID 118088602

IUPAC(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate
SMILESCCOCCOCCOC(=O)Oc1ccc(C)cc1C
InChIInChI=1S/C15H22O5/c1-4-17-7-8-18-9-10-19-15(16)20-14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyYKXWUYDRGCSASV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.87
Rot. Bonds8

About (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate

(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate (PubChem CID 118088602) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate
PubChem CID118088602
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate
SMILESCCOCCOCCOC(=O)Oc1ccc(C)cc1C
InChIInChI=1S/C15H22O5/c1-4-17-7-8-18-9-10-19-15(16)20-14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyYKXWUYDRGCSASV-UHFFFAOYSA-N
XLogP2.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethylphenyl) 2-methoxyethyl carbonate
CID 118088611
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
(4-chloro-2-methylphenyl) 2-methoxyethyl carbonate
CID 91694190
(2,4-dimethylphenyl) 2-methylbutanoate
CID 20826576
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
CID 20503523
(2,4-dimethylphenyl) 3-aminopropanoate
CID 82112021
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate?
The IUPAC name of (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate (CID 118088602) is (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate.
What is the SMILES notation for (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate?
The canonical SMILES for (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate is CCOCCOCCOC(=O)Oc1ccc(C)cc1C.
What is the InChIKey of (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate?
The InChIKey is YKXWUYDRGCSASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-4-17-7-8-18-9-10-19-15(16)20-14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate?
(2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate has a molecular weight of 282.34 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) 2-(2-ethoxyethoxy)ethyl carbonate is sourced from PubChem (CID 118088602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).