CAS
94201-18-0 Purity
96%
94201-18-0 Purity
96%
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2-Methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)propanol
CAS
94201-24-8
Catalog Number
ACM94201248
Category
Other Products
Molecular Weight
194.313180 [g/mol]
Molecular Formula
C13H22O
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Specification
Synonyms
EINECS 303-608-7, 2-Methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)propanol, 94201-24-8
IUPAC Name
(3E)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)propan-1-ol
Canonical SMILES
CC1=CCCC(C1=CC(C)CO)(C)C
InChI Key
RVYMPTPRZXBDOF-WQLSENKSSA-N
Boiling Point
280.3ºC at 760mmHg
Flash Point
105.2ºC
Density
0.951g/cm³
EC Number
303-608-7
Exact Mass
194.16700
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 20836330?
The molecular formula is C13H22O.
What is the molecular weight of the compound?
The molecular weight is 194.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (3E)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)propan-1-ol.
What is the InChIKey of the compound?
The InChIKey is RVYMPTPRZXBDOF-WQLSENKSSA-N.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.9.
What is the topological polar surface area of the compound?
The topological polar surface area is 20.2 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
How many rotatable bond count does the compound have?
The compound has 2 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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