1-(1,3,5,7,9-Dodecapentaenyloxy)-2-propanol, (all-E)-
Basic information
- CAS
139953-97-2- Standard SMILES
CC/C=C/C=C/C=C/C=C/C=C/OCC(C)O- InChIKey
INZXMQZBAFIWAU-ISFAVVKVSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 1-(1,3,5,7,9-Dodecapentaenyloxy)-2-propanol, (all-E)-
- IUPAC
- 1-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-ol
Names & synonyms
Methylglycyl FP-12C87U6N40K21-(1,3,5,7,9-Dodecapentaenyloxy)-2-propanol, (all-E)-Methylglycyl fecapentaene-12UNII-C87U6N40K2CCRIS 4372139953-97-21,3,5,7,9-Dodecapentaene, 1-(2-hydroxypropoxy)-, (all-E)-2'-(1,3,5,7,9-Dodecapentaenyloxy)-2'-propanol(all E)-1-(2-Hydroxypropoxy)-1,3,5,7,9-dodecapentaene2-Propanol, 1-(1,3,5,7,9-dodecapentaenyloxy)-, (all-E)-2-PROPANOL, 1-(1,3,5,7,9-DODECAPENTAENYLOXY)-, (ALL-E)
Show more names
RefChem:73871DTXSID401030652Q27275316(all-E)-1-(1,3,5,7,9-dodecapentaenyloxy)-2-propanol
Database identifiers
- CAS
139953-97-2- PubChem CID
- 6505986
- DTXSID
DTXSID401030652- UNII
- C87U6N40K2
- Nikkaji
- J460.226I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
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Related reactions
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Compound notes
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