CAS
94201-71-5 Purity
96%
94201-71-5 Purity
96%
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4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one
CAS
94201-75-9
Catalog Number
ACM94201759
Category
Other Products
Molecular Weight
218.334580 [g/mol]
Molecular Formula
C15H22O
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Specification
Synonyms
EINECS 303-664-2, CID5744314, 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one, 94201-75-9
IUPAC Name
4,4a-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
Canonical SMILES
CC1CC(=O)C=C2C1(CC(C=C2)C(C)C)C
InChI Key
JTDZJRBVWBCEDX-UHFFFAOYSA-N
Boiling Point
330.8ºC at 760mmHg
Flash Point
146.7ºC
Density
0.97g/cm³
EC Number
303-664-2
Exact Mass
218.16700
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
The molecular formula is C15H22O.
What is the molecular weight of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
The molecular weight is 218.33 g/mol.
What is the IUPAC name of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
The IUPAC name is 4,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one.
What is the InChI of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
The InChI is InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h5-6,8,10-12H,7,9H2,1-4H3.
How many hydrogen bond donor counts does 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
The XLogP3-AA value is 3.7.
How many rotatable bond counts does 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one have?
It has 1 rotatable bond count.
What is the topological polar surface area of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
The topological polar surface area is 17.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one last modified?
The compound was last modified on 2023-12-30.
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