(E)-1-Hydroxy-3-methyl-2-octen-6-yne - CAS 102699-81-0
Catalog: |
BB000921 |
Product Name: |
(E)-1-Hydroxy-3-methyl-2-octen-6-yne |
CAS: |
102699-81-0 |
Synonyms: |
3-methyl-1-oct-2-en-6-ynol; 3-methyloct-2-en-6-yn-1-ol |
IUPAC Name: | 3-methyloct-2-en-6-yn-1-ol |
Description: | (E)-1-Hydroxy-3-methyl-2-octen-6-yne (CAS# 102699-81-0 ) is a useful research chemical. |
Molecular Weight: | 138.21 |
Molecular Formula: | C9H14O |
Canonical SMILES: | CC#CCCC(=CCO)C |
InChI: | InChI=1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h7,10H,5-6,8H2,1-2H3 |
InChI Key: | DZVSTVJWZXYAHQ-UHFFFAOYSA-N |
LogP: | 1.72850 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.104465066 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2 |
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