Basic information
- CAS
1975146-87-2- Standard SMILES
C/C(=C\C(=O)OC(C)C)CC(O)CC(C)CCCC(C)(C)O- InChIKey
SNBAOYXHVDZAKP-NTCAYCPXSA-N- Molecular formula
- C18H34O4
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.24570956
Names & identifiers
- Preferred name
- Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate
- IUPAC
- propan-2-yl (E)-5,11-dihydroxy-3,7,11-trimethyldodec-2-enoate
Names & synonyms
Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoateSNBAOYXHVDZAKP-NTCAYCPXSA-NDTXSID8010180561975146-87-2Isopropyl (2E)-5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate #Propan-2-yl (2E)-5,11-dihydroxy-3,7,11-trimethyldodec-2-enoate
Database identifiers
- CAS
1975146-87-2- PubChem CID
- 5366338
- DTXSID
DTXSID801018056
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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