CAS
94135-64-5 Purity
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94135-64-5 Purity
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1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate
CAS
94135-72-5
Catalog Number
ACM94135725
Category
Other Products
Molecular Weight
224.339160 [g/mol]
Molecular Formula
C14H24O2
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Specification
Synonyms
EINECS 302-943-6, 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate, 94135-72-5
IUPAC Name
2-(4-methylcyclohex-2-en-1-yl)propan-2-yl 2-methylpropanoate
Canonical SMILES
CC1CCC(C=C1)C(C)(C)OC(=O)C(C)C
InChI Key
URCBVDFQDTZIBF-UHFFFAOYSA-N
Boiling Point
269.4ºC at 760mmHg
Flash Point
83.5ºC
Density
0.937g/cm³
EC Number
302-943-6
Exact Mass
224.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate?
The molecular formula is C14H24O2.
When was 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate created in PubChem?
It was created on July 11, 2007.
What is the molecular weight of 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate?
The molecular weight is 224.34 g/mol.
What is the IUPAC name of 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate?
The IUPAC name is 2-(4-methylcyclohex-2-en-1-yl)propan-2-yl 2-methylpropanoate.
What is the InChIKey of 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate?
The InChIKey is URCBVDFQDTZIBF-UHFFFAOYSA-N.
How many hydrogen bond acceptors are in 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate?
There are 2 hydrogen bond acceptors.
What is the XLogP3-AA value of 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate?
The XLogP3-AA value is 3.9.
How many rotatable bond counts are in 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate?
There are 4 rotatable bond counts.
Is 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate a canonicalized compound in PubChem?
Yes, it is a canonicalized compound.
What is the topological polar surface area of 1-Methyl-1-(4-methylcyclohex-2-enyl)ethyl isobutyrate?
The topological polar surface area is 26.3 ?2.
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