3,5-Dimethyloxan-4-ol - CAS 1420815-91-3
Catalog: |
BB073013 |
Product Name: |
3,5-Dimethyloxan-4-ol |
CAS: |
1420815-91-3 |
Synonyms: |
3,5-dimethyloxan-4-ol; 3,5-dimethyltetrahydro-2H-pyran-4-ol |
IUPAC Name: | 3,5-dimethyloxan-4-ol |
Molecular Weight: | 130.18 |
Molecular Formula: | C7H14O2 |
Canonical SMILES: | CC1COCC(C1O)C |
InChI: | InChI=1S/C7H14O2/c1-5-3-9-4-6(2)7(5)8/h5-8H,3-4H2,1-2H3 |
InChI Key: | DDHYBCUZUQGQPH-UHFFFAOYSA-N |
Complexity: | 82.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.099379685 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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