CAS
97467-64-6 Purity
96%
97467-64-6 Purity
96%
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1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate)
CAS
97467-71-5
Catalog Number
ACM97467715
Category
Other Products
Molecular Weight
372.539300 [g/mol]
Molecular Formula
C21H40O5
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Specification
Synonyms
1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate), 97467-71-5, CTK5H9348, AG-H-97350
IUPAC Name
[3-hydroxy-2-(3,5,5-trimethylhexanoyloxy)propyl] 3,5,5-trimethylhexanoate
Canonical SMILES
CC(CC(=O)OCC(CO)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
InChI Key
IBUFAZUSWCOWLK-UHFFFAOYSA-N
Boiling Point
432.6ºC at 760mmHg
Flash Point
132.5ºC
Density
0.978g/cm³
EC Number
306-920-1
Exact Mass
372.28800
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate)?
The molecular formula is C21H40O5.
When was the structure of 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate) created?
The structure was created on August 20, 2009.
What is the molecular weight of 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate)?
The molecular weight is 372.5 g/mol.
What is the IUPAC name of 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate)?
The IUPAC name is 2,5-bis(4,4-dimethylpentan-2-yl)-3-(hydroxymethyl)hexanedioic acid.
What is the InChI key of 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate)?
The InChI key is YQECRRIPRVVSIZ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate) have?
It has 3 hydrogen bond donor counts.
What is the exact mass of 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate)?
The exact mass is 372.28757437 g/mol.
How many rotatable bond counts does 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate) have?
It has 12 rotatable bond counts.
Is 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate) a canonical compound?
Yes, it is a canonical compound.
What is the topological polar surface area of 1-(Hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate)?
The topological polar surface area is 94.8 Ų.
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