CAS
9067-57-6 Purity
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9067-57-6 Purity
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1-Ethoxy-1-heptene
CAS
90676-34-9
Catalog Number
ACM90676349
Category
Other Products
Molecular Weight
142.238620 [g/mol]
Molecular Formula
C9H18O
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Specification
Synonyms
1-ETHOXY-1-HEPTENE, 90676-34-9, 1-Heptene, 1-ethoxy-, CTK3I5920, AG-H-72174, KB-12058
IUPAC Name
1-ethoxyhept-1-ene
Canonical SMILES
CCCCCC=COCC
InChI Key
SDTIAHWPSZKYHU-UHFFFAOYSA-N
Exact Mass
142.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 1-Ethoxy-1-heptene?
The molecular formula of 1-Ethoxy-1-heptene is C9H18O.
What is the molecular weight of 1-Ethoxy-1-heptene?
The molecular weight of 1-Ethoxy-1-heptene is 142.24 g/mol.
What is the IUPAC name of 1-Ethoxy-1-heptene?
The IUPAC name of 1-Ethoxy-1-heptene is (E)-1-ethoxyhept-1-ene.
What is the InChI of 1-Ethoxy-1-heptene?
The InChI of 1-Ethoxy-1-heptene is InChI=1S/C9H18O/c1-3-5-6-7-8-9-10-4-2/h8-9H,3-7H2,1-2H3/b9-8+.
What is the InChIKey of 1-Ethoxy-1-heptene?
The InChIKey of 1-Ethoxy-1-heptene is SDTIAHWPSZKYHU-CMDGGOBGSA-N.
What is the canonical SMILES of 1-Ethoxy-1-heptene?
The canonical SMILES of 1-Ethoxy-1-heptene is CCCCCC=COCC.
What is the isomeric SMILES of 1-Ethoxy-1-heptene?
The isomeric SMILES of 1-Ethoxy-1-heptene is CCCCC/C=C/OCC.
What is the XLogP3-AA value of 1-Ethoxy-1-heptene?
The XLogP3-AA value of 1-Ethoxy-1-heptene is 3.5.
How many rotatable bonds does 1-Ethoxy-1-heptene have?
1-Ethoxy-1-heptene has 6 rotatable bonds.
Is 1-Ethoxy-1-heptene a canonicalized compound?
Yes, 1-Ethoxy-1-heptene is a canonicalized compound.
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