CAS
97552-62-0 Purity
96%
97552-62-0 Purity
96%
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1-Methylethane-1,2-diyl bis(5-methylheptanoate)
CAS
97552-67-5
Catalog Number
ACM97552675
Category
Other Products
Molecular Weight
328.486740 [g/mol]
Molecular Formula
C19H36O4
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Specification
Synonyms
EINECS 307-121-0, 1-Methylethane-1,2-diyl bis(5-methylheptanoate), 97552-67-5
IUPAC Name
3-methyl-2,5-bis(3-methylpentyl)hexanedioic acid
Canonical SMILES
CCC(C)CCCC(=O)OCC(C)OC(=O)CCCC(C)CC
InChI Key
UFNOCRFONXFBKB-UHFFFAOYSA-N
Boiling Point
389.6ºC at 760mmHg
Flash Point
179.3ºC
Density
0.937g/cm³
EC Number
307-121-0
Exact Mass
328.26100
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 1-Methylethane-1,2-diyl bis(5-methylheptanoate)?
The molecular formula of 1-Methylethane-1,2-diyl bis(5-methylheptanoate) is C19H36O4.
When was 1-Methylethane-1,2-diyl bis(5-methylheptanoate) created?
1-Methylethane-1,2-diyl bis(5-methylheptanoate) was created on August 20, 2009.
What is the molecular weight of 1-Methylethane-1,2-diyl bis(5-methylheptanoate)?
The molecular weight of 1-Methylethane-1,2-diyl bis(5-methylheptanoate) is 328.5 g/mol.
What is the IUPAC name of 1-Methylethane-1,2-diyl bis(5-methylheptanoate)?
The IUPAC name of 1-Methylethane-1,2-diyl bis(5-methylheptanoate) is 3-methyl-2,5-bis(3-methylpentyl)hexanedioic acid.
What is the InChIKey of 1-Methylethane-1,2-diyl bis(5-methylheptanoate)?
The InChIKey of 1-Methylethane-1,2-diyl bis(5-methylheptanoate) is UFNOCRFONXFBKB-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-Methylethane-1,2-diyl bis(5-methylheptanoate) have?
1-Methylethane-1,2-diyl bis(5-methylheptanoate) has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of 1-Methylethane-1,2-diyl bis(5-methylheptanoate)?
The XLogP3-AA value of 1-Methylethane-1,2-diyl bis(5-methylheptanoate) is 6.
How many rotatable bond counts does 1-Methylethane-1,2-diyl bis(5-methylheptanoate) have?
1-Methylethane-1,2-diyl bis(5-methylheptanoate) has 13 rotatable bond counts.
What is the topological polar surface area of 1-Methylethane-1,2-diyl bis(5-methylheptanoate)?
The topological polar surface area of 1-Methylethane-1,2-diyl bis(5-methylheptanoate) is 74.6 Ų.
Is 1-Methylethane-1,2-diyl bis(5-methylheptanoate) a canonicalized compound?
Yes, 1-Methylethane-1,2-diyl bis(5-methylheptanoate) is a canonicalized compound.
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CAS
97552-72-2 Purity
96%
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96%
