6-Methyl-1,6-heptanediol - CAS 5392-57-4
Catalog: |
BB076021 |
Product Name: |
6-Methyl-1,6-heptanediol |
CAS: |
5392-57-4 |
Synonyms: |
6-Methylheptane-1,6-diol; 6-Methyl-1,6-heptanediol; 6-Methyl-1,6-heptanediol # |
IUPAC Name: | 6-methylheptane-1,6-diol |
Molecular Weight: | 146.23 |
Molecular Formula: | C8H18O2 |
Canonical SMILES: | CC(C)(CCCCCO)O |
InChI: | InChI=1S/C8H18O2/c1-8(2,10)6-4-3-5-7-9/h9-10H,3-7H2,1-2H3 |
InChI Key: | XICLOMYOBVKLTR-UHFFFAOYSA-N |
Storage: | 4°C |
Complexity: | 79.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.130679813 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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