CAS
94200-92-7 Purity
96%
94200-92-7 Purity
96%
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2-(Isopropyl)-beta-methylcyclohexanepropanol
CAS
94200-99-4
Catalog Number
ACM94200994
Category
Other Products
Molecular Weight
198.344940 [g/mol]
Molecular Formula
C13H26O
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Specification
Synonyms
EINECS 303-580-6, CID11971329, 2-(Isopropyl)-beta-methylcyclohexanepropanol, 94200-99-4
IUPAC Name
2-methyl-3-(2-propan-2-ylcyclohexyl)propan-1-ol
Canonical SMILES
CC(C)C1CCCCC1CC(C)CO
InChI Key
FJLMKTWTPFOFCT-UHFFFAOYSA-N
Boiling Point
262.1ºC at 760mmHg
Flash Point
116.4ºC
Density
0.873g/cm³
EC Number
303-580-6
Exact Mass
198.19800
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 2-(Isopropyl)-beta-methylcyclohexanepropanol?
The molecular formula is C13H26O.
When was the structure first created for 2-(Isopropyl)-beta-methylcyclohexanepropanol?
The structure was first created on 2006-12-27.
What is the molecular weight of 2-(Isopropyl)-beta-methylcyclohexanepropanol?
The molecular weight is 198.34 g/mol.
What are the synonyms for 2-(Isopropyl)-beta-methylcyclohexanepropanol?
Some synonyms include EINECS 303-580-6, 94200-99-4, and 2-Methyl-3-[2-(propan-2-yl)cyclohexyl]propan-1-ol.
What is the InChIKey for 2-(Isopropyl)-beta-methylcyclohexanepropanol?
The InChIKey is FJLMKTWTPFOFCT-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-(Isopropyl)-beta-methylcyclohexanepropanol have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value for 2-(Isopropyl)-beta-methylcyclohexanepropanol?
The XLogP3-AA value is 4.5.
How many rotatable bond counts does 2-(Isopropyl)-beta-methylcyclohexanepropanol have?
It has 4 rotatable bond counts.
Is 2-(Isopropyl)-beta-methylcyclohexanepropanol a canonicalized compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of 2-(Isopropyl)-beta-methylcyclohexanepropanol?
The topological polar surface area is 20.2 Å2.
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