5-Ethyl-3-methylheptane-2,4-diol

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Basic information

CAS: 7748-39-2
Standard SMILES: CCC(CC)C(O)C(C)C(C)O
InChIKey: KIVFFJJOSJSITG-UHFFFAOYSA-N
Molecular formula: C10H22O2
Average molar mass: 174.28 g/mol
Monoisotopic mass: 174.16197994

Names & identifiers

Preferred name: 5-Ethyl-3-methylheptane-2,4-diol
IUPAC: 5-ethyl-3-methylheptane-2,4-diol

Names & synonyms

5-ethyl-3-methylheptane-2,4-diol7748-39-2DTXSID40289594RefChem:302966DTXCID80240740NSC62127SCHEMBL42581465-ethyl-3-methyl-heptane-2,4-diolNSC-62127AKOS0062714655-ETHYL-3-METHYL-2,4-HEPTANEDIOLDS-005700

Database identifiers

CAS: 7748-39-2
PubChem CID: 247485
DTXSID: DTXSID40289594

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 110

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Compound notes

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