6380-23-0 Purity
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Specification
The molecular formula is C10H20O.
The molecular weight is 156.26 g/mol.
The IUPAC Name is 3-(ethenoxymethyl)heptane.
The InChI is InChI=1S/C10H20O/c1-4-7-8-10(5-2)9-11-6-3/h6,10H,3-5,7-9H2,1-2H3.
The InChIKey is DSSAWHFZNWVJEC-UHFFFAOYSA-N.
The Canonical SMILES is CCCCC(CC)COC=C.
The CAS number is 103-44-6.
The UNII is K4Y1DC6DFA.
Some computed properties include molecular weight, XLogP3, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, and covalently-bonded unit count.
The complexity is 88.9.