CAS
942-86-9 Purity
96%
942-86-9 Purity
96%
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2-Isobutyl-5-methylanisole
CAS
94291-45-9
Catalog Number
ACM94291459
Category
Other Products
Molecular Weight
178.270720 [g/mol]
Molecular Formula
C12H18O
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Specification
Synonyms
2-Isobutyl-5-methylanisole, EINECS 304-868-4, CID3024270, 94291-45-9
IUPAC Name
2-methoxy-4-methyl-1-(2-methylpropyl)benzene
Canonical SMILES
CC1=CC(=C(C=C1)CC(C)C)OC
InChI Key
ITCLFWJTLBAMIG-UHFFFAOYSA-N
Boiling Point
239.5ºC at 760mmHg
Flash Point
83.2ºC
Density
0.909g/cm³
EC Number
304-868-4
Exact Mass
178.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 2-isobutyl-5-methylanisole?
The molecular formula of 2-isobutyl-5-methylanisole is C12H18O.
When was 2-isobutyl-5-methylanisole created?
2-isobutyl-5-methylanisole was created on 2005-08-08.
What is the IUPAC name of 2-isobutyl-5-methylanisole?
The IUPAC name of 2-isobutyl-5-methylanisole is 2-methoxy-4-methyl-1-(2-methylpropyl)benzene.
What is the molecular weight of 2-isobutyl-5-methylanisole?
The molecular weight of 2-isobutyl-5-methylanisole is 178.27 g/mol.
What is the InChIKey of 2-isobutyl-5-methylanisole?
The InChIKey of 2-isobutyl-5-methylanisole is ITCLFWJTLBAMIG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-isobutyl-5-methylanisole have?
2-isobutyl-5-methylanisole has 0 hydrogen bond donor counts.
What is the topological polar surface area of 2-isobutyl-5-methylanisole?
The topological polar surface area of 2-isobutyl-5-methylanisole is 9.2 A^2.
Does 2-isobutyl-5-methylanisole have any defined bond stereocenter count?
No, 2-isobutyl-5-methylanisole does not have any defined bond stereocenter count.
What is the XLogP3-AA value of 2-isobutyl-5-methylanisole?
The XLogP3-AA value of 2-isobutyl-5-methylanisole is 3.8.
Is 2-isobutyl-5-methylanisole a canonicalized compound?
Yes, the compound 2-isobutyl-5-methylanisole is canonicalized.
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