CAS
94071-19-9 Purity
96%
94071-19-9 Purity
96%
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Methyl 2-decyl-3-hydroxytetradecanoate
CAS
94071-22-4
Catalog Number
ACM94071224
Category
Other Products
Molecular Weight
398.662700 [g/mol]
Molecular Formula
C25H50O3
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Specification
Synonyms
Methyl 2-decyl-3-hydroxytetradecanoate, EINECS 301-823-0, CID3023396, 94071-22-4
IUPAC Name
methyl 2-decyl-3-hydroxytetradecanoate
Canonical SMILES
CCCCCCCCCCCC(C(CCCCCCCCCC)C(=O)OC)O
InChI Key
WENUEWXDPUUADB-UHFFFAOYSA-N
Boiling Point
492.9ºC at 760mmHg
Flash Point
179.1ºC
Density
0.9g/cm³
EC Number
301-823-0
Exact Mass
398.37600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Methyl 2-decyl-3-hydroxytetradecanoate?
The molecular formula is C25H50O3.
What is the molecular weight of Methyl 2-decyl-3-hydroxytetradecanoate?
The molecular weight is 398.7 g/mol.
When was Methyl 2-decyl-3-hydroxytetradecanoate created and modified in PubChem?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of Methyl 2-decyl-3-hydroxytetradecanoate?
The IUPAC name is methyl 2-decyl-3-hydroxytetradecanoate.
What is the InChI of Methyl 2-decyl-3-hydroxytetradecanoate?
The InChI is InChI=1S/C25H50O3/c1-4-6-8-10-12-14-16-18-20-22-24(26)23(25(27)28-3)21-19-17-15-13-11-9-7-5-2/h23-24,26H,4-22H2,1-3H3.
What is the Canonical SMILES of Methyl 2-decyl-3-hydroxytetradecanoate?
The Canonical SMILES is CCCCCCCCCCCC(C(CCCCCCCCCC)C(=O)OC)O.
How many hydrogen bond donor counts does Methyl 2-decyl-3-hydroxytetradecanoate have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of Methyl 2-decyl-3-hydroxytetradecanoate?
The XLogP3-AA value is 10.3.
What is the topological polar surface area of Methyl 2-decyl-3-hydroxytetradecanoate?
The topological polar surface area is 46.5 Ų.
Is the compound Methyl 2-decyl-3-hydroxytetradecanoate canonicalized according to PubChem?
Yes, the compound is canonicalized.
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