Basic information
- CAS
22026-13-7- Standard SMILES
CCCCCCCCCCCC(=O)CCCCC- InChIKey
LRVKCBZAFZUCCB-UHFFFAOYSA-N- Molecular formula
- C17H34O
- Average molar mass
- 254.5 g/mol
- Monoisotopic mass
- 254.2609657
Names & identifiers
- Preferred name
- Heptadecan-6-one
- IUPAC
- heptadecan-6-one
- English name
- heptadecan-6-one
- Molecular formula
- C17H34O
- Molecular weight
- 254.45
Names & synonyms
Heptadecan-6-one6-Heptadecanone22026-13-7EINECS 244-729-4NSC158527SCHEMBL3414307SCHEMBL3512333SCHEMBL29189071DTXSID20176493LRVKCBZAFZUCCB-UHFFFAOYSA-NAKOS024333810NSC 158527
Show more names
NSC-158527NS00049172
Database identifiers
- CAS
22026-13-7- PubChem CID
- 89157
- DTXSID
DTXSID20176493- EC Number
- 244-729-4
- Nikkaji
- J225.523E
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 46.67 °C · 46.67°C (estimate)
- Boiling point
- 322.67 °C · 322.67°C (estimate)
- Density
- 0.8381 · 0.8381 (estimate)
- refractive index
- 1.4465 · 1.4465 (estimate)
- LogP
- 7.091 · 7.091 (est)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [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
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