CAS
93840-77-8 Purity
96%
93840-77-8 Purity
96%
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Bicyclo[2.2.1]heptane,2-(4-methoxybutylidene)-1,3,3-trimethyl-
CAS
93840-85-8
Catalog Number
ACM93840858
Category
Other Products
Molecular Weight
222.36634
Molecular Formula
C15H26O
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Specification
Synonyms
EINECS 298-952-7, 2-(4-Methoxybutylidene)-1,3,3-trimethylbicyclo(2.2.1)heptane, 93840-85-8
IUPAC Name
(3Z)-3-(4-methoxybutylidene)-2,2,4-trimethylbicyclo[2.2.1]heptane
Canonical SMILES
CC1(C2CCC(C2)(C1=CCCCOC)C)C
InChI Key
XMLQMWOIFMVPFQ-NTUHNPAUSA-N
Boiling Point
273ºC at 760mmHg
Flash Point
105.7ºC
Density
0.96g/cm³
EC Number
298-952-7
Exact Mass
222.19800
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 44151357?
The molecular formula is C15H26O.
What is the molecular weight of the compound?
The molecular weight is 222.37 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (2Z)-2-(4-methoxybutylidene)-1,3,3-trimethylbicyclo[2.2.1]heptane.
How many hydrogen bond acceptor counts does the compound have?
The compound has 1 hydrogen bond acceptor count.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value is 4.2.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 9.2 Ų.
How many heavy atoms are present in the compound?
There are 16 heavy atoms in the compound.
Does the compound have any defined bond stereocenter count?
Yes, the compound has 1 defined bond stereocenter count.
Is the compound's structure canonicalized?
Yes, the compound is canonicalized.
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CAS
93840-87-0 Purity
96%
93840-87-0 Purity
96%
