CAS
94201-27-1 Purity
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94201-27-1 Purity
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Beta,2,2,4-tetramethylcyclopentanepropanol
CAS
94201-31-7
Catalog Number
ACM94201317
Category
Other Products
Molecular Weight
184.318360 [g/mol]
Molecular Formula
C12H24O
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Specification
Synonyms
EINECS 303-616-0, CID11971332, beta,2,2,4-Tetramethylcyclopentanepropanol, 94201-31-7
IUPAC Name
2-methyl-3-(2,2,4-trimethylcyclopentyl)propan-1-ol
Canonical SMILES
CC1CC(C(C1)(C)C)CC(C)CO
InChI Key
JDXDZOPSWDWWDU-UHFFFAOYSA-N
Boiling Point
229.9ºC at 760mmHg
Flash Point
97.7ºC
Density
0.854g/cm³
EC Number
303-616-0
Exact Mass
184.18300
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of beta, 2, 2, 4-tetramethylcyclopentanepropanol?
The molecular formula is C12H24O.
When was the structure of beta, 2, 2, 4-tetramethylcyclopentanepropanol created?
The structure was created on December 27, 2006.
What is the molecular weight of beta, 2, 2, 4-tetramethylcyclopentanepropanol?
The molecular weight is 184.32 g/mol.
What are the synonyms for beta, 2, 2, 4-tetramethylcyclopentanepropanol?
The synonyms include 94201-31-7, EINECS 303-616-0, and DTXSID20916134.
What is the InChIKey for beta, 2, 2, 4-tetramethylcyclopentanepropanol?
The InChIKey is JDXDZOPSWDWWDU-UHFFFAOYSA-N.
How many hydrogen bond donor counts does beta, 2, 2, 4-tetramethylcyclopentanepropanol have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of beta, 2, 2, 4-tetramethylcyclopentanepropanol?
The XLogP3-AA value is 3.8.
How many rotatable bond counts does beta, 2, 2, 4-tetramethylcyclopentanepropanol have?
It has 3 rotatable bond counts.
Is beta, 2, 2, 4-tetramethylcyclopentanepropanol a canonicalized compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of beta, 2, 2, 4-tetramethylcyclopentanepropanol?
The topological polar surface area is 20.2?2.
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CAS
94201-29-3 Purity
96%
94201-29-3 Purity
96%
