CAS
94201-30-6 Purity
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94201-30-6 Purity
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1,5-Dimethyl-1-(2-methylallyl)hex-4-enyl acetate
CAS
94201-35-1
Catalog Number
ACM94201351
Category
Other Products
Molecular Weight
224.339160 [g/mol]
Molecular Formula
C14H24O2
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Specification
Synonyms
1,5-Dimethyl-1-(2-methylallyl)hex-4-enyl acetate, 94201-35-1, AC1L41LM, CTK5H5695, EINECS 303-620-2, AG-H-88187, 2,4,8-trimethylnona-1,7-dien-4-yl acetate
IUPAC Name
2,4,8-trimethylnona-1,7-dien-4-yl acetate
SMILES
CC(=CCCC(C)(CC(=C)C)OC(=O)C)C
InChI Key
TZZHLXPJOWLPFA-UHFFFAOYSA-N
Boiling Point
260.1ºC at 760mmHg
Flash Point
72.5ºC
Density
0.892g/cm³
EC Number
303-620-2
Exact Mass
224.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate?
The molecular formula is C14H24O2.
What is the molecular weight of 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate?
The molecular weight is 224.34 g/mol.
What is the IUPAC name of 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate?
The IUPAC name is 2,4,8-trimethylnona-1,7-dien-4-yl acetate.
What is the InChI of 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate?
The InChI is InChI=1S/C14H24O2/c1-11(2)8-7-9-14(6,10-12(3)4)16-13(5)15/h8H,3,7,9-10H2,1-2,4-6H3.
What is the InChIKey of 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate?
The InChIKey is TZZHLXPJOWLPFA-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate?
The Canonical SMILES is CC(=CCCC(C)(CC(=C)C)OC(=O)C)C.
What is the CAS number of 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate?
The CAS number is 94201-35-1.
How many hydrogen bond donor counts are there in 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate?
There are 0 hydrogen bond donor counts.
How many rotatable bond counts are there in 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate?
There are 7 rotatable bond counts.
Is the compound 1,5-dimethyl-1-(2-methylallyl)hex-4-enyl acetate canonicalized?
Yes, the compound is canonicalized.
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