CAS
93964-67-1 Purity
96%
93964-67-1 Purity
96%
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4-Cycloocten-1-yl isovalerate
CAS
93964-70-6
Catalog Number
ACM93964706
Category
Other Products
Molecular Weight
210.312580 [g/mol]
Molecular Formula
C13H22O2
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Specification
Synonyms
4-Cycloocten-1-yl isovalerate, EINECS 300-916-3, CID6366334, 93964-70-6
IUPAC Name
[(4Z)-cyclooct-4-en-1-yl] 3-methylbutanoate
Canonical SMILES
CC(C)CC(=O)OC1CCCC=CCC1
InChI Key
NOCIMGBKIKPXQV-ARJAWSKDSA-N
Boiling Point
272.6ºC at 760mmHg
Flash Point
110.7ºC
Density
0.94g/cm³
EC Number
300-916-3
Exact Mass
210.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-Cycloocten-1-yl isovalerate?
The molecular formula of 4-Cycloocten-1-yl isovalerate is C13H22O2.
What is the molecular weight of 4-Cycloocten-1-yl isovalerate?
The molecular weight of 4-Cycloocten-1-yl isovalerate is 210.31 g/mol.
What is the IUPAC name of 4-Cycloocten-1-yl isovalerate?
The IUPAC name of 4-Cycloocten-1-yl isovalerate is [(4Z)-cyclooct-4-en-1-yl] 3-methylbutanoate.
What is the InChI of 4-Cycloocten-1-yl isovalerate?
The InChI of 4-Cycloocten-1-yl isovalerate is InChI=1S/C13H22O2/c1-11(2)10-13(14)15-12-8-6-4-3-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3/b4-3-.
What is the InChIKey of 4-Cycloocten-1-yl isovalerate?
The InChIKey of 4-Cycloocten-1-yl isovalerate is NOCIMGBKIKPXQV-ARJAWSKDSA-N.
What is the canonical SMILES of 4-Cycloocten-1-yl isovalerate?
The canonical SMILES of 4-Cycloocten-1-yl isovalerate is CC(C)CC(=O)OC1CCCC=CCC1.
How many hydrogen bond donor count does 4-Cycloocten-1-yl isovalerate have?
4-Cycloocten-1-yl isovalerate has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does 4-Cycloocten-1-yl isovalerate have?
4-Cycloocten-1-yl isovalerate has 2 hydrogen bond acceptor count.
How many rotatable bond count does 4-Cycloocten-1-yl isovalerate have?
4-Cycloocten-1-yl isovalerate has 4 rotatable bond count.
Is 4-Cycloocten-1-yl isovalerate a canonicalized compound?
Yes, 4-Cycloocten-1-yl isovalerate is a canonicalized compound.
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