CAS
95015-69-3 Purity
96%
95015-69-3 Purity
96%
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2-((E)-But-1-enyl)-5-methyl-2,3,4-tripropyl-2H-pyrrole
CAS
950179-08-5
Catalog Number
ACM950179085
Category
Other Products
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- Product Description
- Case Study
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula of the compound is C18H31N.
What is the molecular weight of the compound?
The molecular weight of the compound is 261.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[(E)-but-1-enyl]-5-methyl-2,3,4-tripropylpyrrole.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C18H31N/c1-6-10-14-18(13-9-4)17(12-8-3)16(11-7-2)15(5)19-18/h10,14H,6-9,11-13H2,1-5H3/b14-10+.
What is the InChIKey of the compound?
The InChIKey of the compound is XGLPLQVGERADKH-GXDHUFHOSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CCCC1=C(C(N=C1C)(CCC)C=CCC)CCC.
What is the Isomeric SMILES of the compound?
The Isomeric SMILES of the compound is CCCC1=C(C(N=C1C)(CCC)/C=C/CC)CCC.
What is the XLogP3-AA of the compound?
The XLogP3-AA value of the compound is 5.
How many rotatable bonds does the compound have?
The compound has 8 rotatable bonds.
Is the compound a canonicalized compound?
Yes, the compound is canonicalized according to PubChem.
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