CAS
93776-76-2 Purity
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93776-76-2 Purity
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Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester(9ci)
CAS
93776-79-5
Catalog Number
ACM93776795
Category
Other Products
Molecular Weight
530.77732
Molecular Formula
C30H58O7
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Specification
Synonyms
EINECS 298-005-8, Oxybis(2-hydroxypropane-3,1-diyl) dilaurate, 93776-79-5
IUPAC Name
[3-(3-dodecanoyloxy-2-hydroxypropoxy)-2-hydroxypropyl] dodecanoate
Canonical SMILES
CCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCC)O)O
InChI Key
IDAYRRHZKNGGCA-UHFFFAOYSA-N
EC Number
298-005-8
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester?
The molecular formula is C30H58O7.
What is the molecular weight of Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester?
The molecular weight is 530.8 g/mol.
What is the IUPAC name of Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester?
The IUPAC name is [3-(3-dodecanoyloxy-2-hydroxypropoxy)-2-hydroxypropyl] dodecanoate.
What is the InChI of Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester?
The InChI is InChI=1S/C30H58O7/c1-3-5-7-9-11-13-15-17-19-21-29(33)36-25-27(31)23-35-24-28(32)26-37-30(34)22-20-18-16-14-12-10-8-6-4-2/h27-28,31-32H,3-26H2,1-2H3
What is the InChIKey of Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester?
The InChIKey is IDAYRRHZKNGGCA-UHFFFAOYSA-N.
What is the Canonical SMILES of Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester?
The Canonical SMILES is CCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCC)O)O.
What is the CAS number of Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester?
The CAS number is 93776-79-5.
What is the XLogP3-AA value of Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester?
The XLogP3-AA value is 8.9.
How many hydrogen bond donor counts are there in Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester?
There are 2 hydrogen bond donor counts.
Is Dodecanoic acid,oxybis(2-hydroxy-3,1-propanediyl)ester a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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