CAS
94386-37-5 Purity
96%
94386-37-5 Purity
96%
![3-Allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one](https://resource.alfa-chemistry.com/structure/94386-44-4.gif)
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[4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate
CAS
94386-40-0
Catalog Number
ACM94386400
Category
Other Products
Molecular Weight
236.349860 [g/mol]
Molecular Formula
C15H24O2
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Specification
Synonyms
EINECS 305-262-2, CID216438, (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate, 94386-40-0
IUPAC Name
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 3-methylbutanoate
Canonical SMILES
CC(C)CC(=O)OCC1=CCC(CC1)C(=C)C
InChI Key
YOKIAMRQWJSVRG-UHFFFAOYSA-N
EC Number
305-262-2
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?
The molecular formula is C15H24O2.
When was [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate created in PubChem?
It was created on August 9, 2005.
What is the IUPAC name of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?
The IUPAC name is (4-prop-1-en-2-ylcyclohexen-1-yl)methyl 3-methylbutanoate.
What is the molecular weight of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?
The molecular weight is 236.35 g/mol.
What is the Canonical SMILES representation of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?
The Canonical SMILES representation is CC(C)CC(=O)OCC1=CCC(CC1)C(=C)C.
What is the InChIKey of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?
The InChIKey is YOKIAMRQWJSVRG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?
The XLogP3-AA value is 3.9.
How many rotatable bond counts does [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate have?
It has 6 rotatable bond counts.
Is [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate a canonicalized compound?
Yes, it is a canonicalized compound.
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