Structure

[2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate

CAS
94160-28-8
Catalog Number
ACM94160288
Category
Other Products
Molecular Weight
374.426000 [g/mol]
Molecular Formula
C18H30O8

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Specification

Synonyms
EINECS 303-311-2, (2-(2-Hydroxypropoxy)-1,3-propanediyl)bis(oxy(1-methyl-2,1-ethanediyl)) diacrylate, 94160-28-8
IUPAC Name
(E)-5-[3-[(E)-5-hydroxy-2-methyl-5-oxopent-3-enoxy]-2-(2-hydroxypropoxy)propoxy]-4-methylpent-2-enoic acid
SMILES
CC(COCC(COCC(C)C=CC(=O)O)OCC(C)O)C=CC(=O)O
InChI Key
LXNUAQFJXYLDPQ-YDFGWWAZSA-N
EC Number
303-311-2
Exact Mass
374.19400
H-Bond Acceptor
8
H-Bond Donor
3
What is the molecular formula of [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate?

The molecular formula is C18H30O8.

When was [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate created and modified in PubChem?

It was created on 2009-08-20 and last modified on 2023-12-30.

What is the IUPAC Name of [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate?

The IUPAC Name is (E)-5-[3-[(E)-4-carboxy-2-methylbut-3-enoxy]-2-(2-hydroxypropoxy)propoxy]-4-methylpent-2-enoic acid.

What is the InChIKey of [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate?

The InChIKey is LXNUAQFJXYLDPQ-YDFGWWAZSA-N.

How many hydrogen bond donor counts are there in [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate?

There are 3 hydrogen bond donor counts.

What is the XLogP3-AA value of [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate?

The XLogP3-AA value is 0.8.

What is the heavy atom count of [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate?

The heavy atom count is 26.

Is [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate considered canonicalized in PubChem?

Yes, it is considered canonicalized in PubChem.

What is the topological polar surface area of [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate?

The topological polar surface area is 123 Å2.

How many rotatable bond counts are there in [2-(2-Hydroxypropoxy)-1,3-propanediyl]bis[oxy(1-methyl-2,1-ethanediyl)]diacrylate?

There are 15 rotatable bond counts.

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