Completing data — refresh the page later to see the latest
Basic information
- CAS
5445-31-8- Standard SMILES
CCCCCCC(=O)C(C)C- InChIKey
OPZBFCHDGBPBRJ-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- 2-Methylnonan-3-one
- IUPAC
- 2-methylnonan-3-one
- English name
- 2-METHYL-3-NONANONE
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
2-Methylnonan-3-one2-Methyl-3-nonanone3-Nonanone, 2-methyl-Hexyl isopropyl ketoneEINECS 226-648-6DTXSID70202852NSC 21991RefChem:88347DTXCID00125343226-648-6OPZBFCHDGBPBRJ-UHFFFAOYSA-N5445-31-8
Show more names
3-Nonanone,2-methyl-ISOPROPYL N-HEXYL KETONEN-HEXYL ISOPROPYL KETONE
NSC-21991NSC21991SCHEMBL1604484888NTF35B2AKOS009390061DB-052575NS00033088
Database identifiers
- CAS
5445-31-8- PubChem CID
- 79518
- DTXSID
DTXSID70202852- UNII
- 888NTF35B2
- EC Number
- 226-648-6
- Nikkaji
- J121.765H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- -3.45 °C · -3.45°C (estimate)
- Boiling point
- 199.85 °C · 199.85°C
- Density
- 0.8284 · 0.8284 (estimate)
- refractive index
- 1.4236 · 1.4236 (estimate)
- LogP
- 3.38 · 3.380 (est)
- FDA UNII
- 888 NTF35B2 · 888NTF35B2
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…