3-Methyl-3-hexanol - CAS 597-96-6
Catalog: |
BB042520 |
Product Name: |
3-Methyl-3-hexanol |
CAS: |
597-96-6 |
Synonyms: |
3-Hexanol, 3-methyl-; 2-Ethyl-2-pentanol |
IUPAC Name: | 3-methylhexan-3-ol |
Description: | 3-Methyl-3-hexanol (CAS# 597-96-6 ) is a useful research chemical. |
Molecular Weight: | 116.20 |
Molecular Formula: | C7H16O |
Canonical SMILES: | CCCC(C)(CC)O |
InChI: | InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3 |
InChI Key: | KYWJZCSJMOILIZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 61.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.12011513 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.12011513 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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