Basic information
- CAS
52939-62-5- Standard SMILES
C=CCC(O)(CC)CC=C- InChIKey
ZNYOYPXOCNWHCW-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 1,6-Heptadien-4-ol, 4-ethyl-
- IUPAC
- 4-ethylhepta-1,6-dien-4-ol
Names & synonyms
4-Ethyl-1,6-heptadien-4-ol52939-62-5EthyldiallylcarbinolAethyldiallylcarbinolAethyldiallylcarbinol [German]1,6-HEPTADIEN-4-OL, 4-ETHYL-NSC 25549BRN 1743575DTXSID102009783-01-00-02001 (Beilstein Handbook Reference)RefChem:221572DTXCID40123469
Show more names
4-ethylhepta-1,6-dien-4-olNSC25549Diallyl PropylalkoholSCHEMBL9316708CCA93962NSC-25549EN300-1608683
Database identifiers
- CAS
52939-62-5- PubChem CID
- 40588
- DTXSID
DTXSID10200978- Nikkaji
- J1.788.565K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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