CAS
96507-75-4 Purity
96%
96507-75-4 Purity
96%
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Decyl isoundecyl phthalate
CAS
96507-80-1
Catalog Number
ACM96507801
Category
Other Products
Molecular Weight
460.689020 [g/mol]
Molecular Formula
C29H48O4
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Specification
Synonyms
Decyl isoundecyl phthalate, EINECS 306-159-5, 96507-80-1
IUPAC Name
1-O-decyl 2-O-(9-methyldecyl) benzene-1,2-dicarboxylate
Canonical SMILES
CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C
InChI Key
IKSMHHLEDXGDIF-UHFFFAOYSA-N
EC Number
306-159-5
Exact Mass
460.35500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Decyl isoundecyl phthalate?
The molecular formula of Decyl isoundecyl phthalate is C29H48O4.
When was Decyl isoundecyl phthalate first created in PubChem?
Decyl isoundecyl phthalate was first created in PubChem on August 20, 2009.
What is the molecular weight of Decyl isoundecyl phthalate?
The molecular weight of Decyl isoundecyl phthalate is 460.7 g/mol.
What is the IUPAC name of Decyl isoundecyl phthalate?
The IUPAC name of Decyl isoundecyl phthalate is 1-O-decyl 2-O-(9-methyldecyl) benzene-1,2-dicarboxylate.
What is the InChIKey of Decyl isoundecyl phthalate?
The InChIKey of Decyl isoundecyl phthalate is IKSMHHLEDXGDIF-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Decyl isoundecyl phthalate?
The Canonical SMILES representation of Decyl isoundecyl phthalate is CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C.
What is the hydrogen bond acceptor count of Decyl isoundecyl phthalate?
The hydrogen bond acceptor count of Decyl isoundecyl phthalate is 4.
Is Decyl isoundecyl phthalate a canonicalized compound?
Yes, Decyl isoundecyl phthalate is a canonicalized compound.
How many rotatable bonds does Decyl isoundecyl phthalate have?
Decyl isoundecyl phthalate has 22 rotatable bonds.
What is the topological polar surface area of Decyl isoundecyl phthalate?
The topological polar surface area of Decyl isoundecyl phthalate is 52.6 Ų.
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