Tetraethyl squarate

HCID 129446

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Basic information

CAS: 121496-65-9
Standard SMILES: CCN(CC)c1ccc(C2C(=O)C(c3ccc(N(CC)CC)c(O)c3)C2=O)c(O)c1
InChIKey: WQOCBXDIJFBKAH-UHFFFAOYSA-N
Molecular formula: C24H30N2O4
Average molar mass: 410.5 g/mol
Monoisotopic mass: 410.22055744

Overview

structure given in first source

Names & identifiers

Preferred name: Tetraethyl squarate
IUPAC: 2-[4-(diethylamino)-2-hydroxyphenyl]-4-[4-(diethylamino)-3-hydroxyphenyl]cyclobutane-1,3-dione
English name: tetraethyl squarate
Molecular weight: 0

Names & synonyms

Tetraethyl squarate121496-65-9DTXSID501532771,3-Bis(4-diethylamino-2-hydroxyphenyl)-2,4-dihydroxycyclobutenediyliumRefChem:188558DTXCID20757682-[4-(diethylamino)-2-hydroxyphenyl]-4-[4-(diethylamino)-3-hydroxyphenyl]cyclobutane-1,3-dione1,3-Cyclobutanedione, 2-(4-(diethylamino)-2-hydroxyphenyl)-4-(4-(diethylamino)-3-hydroxyphenyl)-

Database identifiers

CAS: 121496-65-9
PubChem CID: 129446
DTXSID: DTXSID50153277

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 588

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