CAS
94291-65-3 Purity
96%
94291-65-3 Purity
96%
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Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate
CAS
94291-71-1
Catalog Number
ACM94291711
Category
Other Products
Molecular Weight
258.312320 [g/mol]
Molecular Formula
C16H18O3
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Specification
Synonyms
EINECS 304-897-2, CID3024282, Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate, 94291-71-1
IUPAC Name
phenyl (1-prop-2-ynylcyclohexyl) carbonate
Canonical SMILES
C#CCC1(CCCCC1)OC(=O)OC2=CC=CC=C2
InChI Key
BNKFCCNRTVWDBP-UHFFFAOYSA-N
EC Number
304-897-2
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
The molecular formula of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is C16H18O3.
When was Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate created and last modified?
Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate was created on August 8, 2005, and last modified on December 30, 2023.
What is the molecular weight of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
The molecular weight of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is 258.31 g/mol.
Can you provide the IUPAC name of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
The IUPAC name of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is phenyl (1-prop-2-ynylcyclohexyl) carbonate.
What is the InChIKey of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
The InChIKey of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is BNKFCCNRTVWDBP-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate have?
Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate has 3 hydrogen bond acceptors.
What is the topological polar surface area of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
The topological polar surface area of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is 35.5 Å2.
How many rotatable bonds does Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate have?
Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate has 5 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate?
The XLogP3-AA value of Phenyl 1-(prop-2-yn-1-yl)cyclohexyl carbonate is 4.3.
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CAS
94291-74-4 Purity
96%
94291-74-4 Purity
96%
