Methyloctylpyran
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Basic information
- CAS
34374-04-4- Standard SMILES
CCCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1- InChIKey
NBBNVTWUGVPAOI-UHFFFAOYSA-N- Molecular formula
- C25H38O2
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.28718045
Names & identifiers
- Preferred name
- Methyloctylpyran
- IUPAC
- 6,6,9-trimethyl-3-nonan-2-yl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
- English name
- MOP
- Molecular formula
- C25H38O2
- Molecular weight
- 370.57
Names & synonyms
MethyloctylpyranBRN 031373434374-04-43-Methyloctyl-7,8,9,10-tetrahydrocannabinol6H-Dibenzo(b,d)pyran-1-ol, 3-(1'-methyloctyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-4-17-00-01570 (Beilstein Handbook Reference)RefChem:357028SCHEMBL9079211DTXSID509559156,6,9-Trimethyl-3-(nonan-2-yl)-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-olMOPOPN4
Show more names
Opsin-4MOSQUITO OVAPOSITION PHEROMONEAnti-OPN4, C-Terminal antibody produced in rabbit6,6,9-trimethyl-3-(nonan-2-yl)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol7,8,9,10-Tetrahydro-6,6,9-trimethyl-3-(1-methyloctyl)-6H-dibenzo[b,d]pyran-1-ol6H-Dibenzo[b,d]pyran-1-ol, 7,8,9,10-tetrahydro-6,6,9-trimethyl-3-(1-methyloctyl)-
Database identifiers
- CAS
34374-04-4- PubChem CID
- 36812
- DTXSID
DTXSID50955915- Nikkaji
- J53.924D
Properties
Computed structural propertiesFilling in
- XLogP
- 7.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Physicochemical properties
- Boiling point
- 486.1 · 486.1±45.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 10.03 · 10.03±0.60(Predicted)
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Compound notes
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