Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate

• CAS: 98835-90-6
• Catalog Number: ACM98835906
• Category: Other Products
• Molecular Weight: 421.59
• Molecular Formula: C₂₃H₃₅NO₄S
• Synonyms: 5-(Diethylamino)-2-(phenylsulfonyl)-2,4-pentadienoic acid octyl ester;Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate;(2Z,4E)-octyl 5-(diethylamino)-2-(phenylsulfonyl)penta-2,4-dienoate
• Density: 1.072

Custom Q&A

What is the molecular formula of Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate?

The molecular formula is C23H35NO4S.

What is the molecular weight of Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate?

The molecular weight is 421.6 g/mol.

What is the IUPAC name of Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate?

The IUPAC name is octyl (2Z,4E)-2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoate.

What is the Canonical SMILES of Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate?

The Canonical SMILES is CCCCCCCCOC(=O)C(=CC=CN(CC)CC)S(=O)(=O)C1=CC=CC=C1.

How many hydrogen bond acceptor counts are there in Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate?

There are 5 hydrogen bond acceptors.

What is the XLogP3-AA value of Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate?

The XLogP3-AA value is 6.3.

What is the topological polar surface area of Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate?

The topological polar surface area is 72.1 Ų.

How many rotatable bond counts are there in Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate?

There are 15 rotatable bonds.

Is Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate a canonicalized compound?

Yes, it is a canonicalized compound.

What is the InChIKey of Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate?

The InChIKey is LBNUXTQQOXBRAR-QTAZYSQYSA-N.