Basic information
- CAS
4764-14-1- Standard SMILES
CC1(C)C2CCC(C=O)C1C2- InChIKey
OOCLVMCVOWKECB-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
Overview
6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde has been reported in Magnolia officinalis and Cymbopogon citratus with data available.
Names & identifiers
- Preferred name
- Myrtanal
- IUPAC
- 6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde
- English name
- 6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
Myrtanal6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde4764-14-16,6-Dimethylbicyclo[3.1.1]heptane-2-carbaldehydeRefChem:1090096DTXCID0030798225-304-2DTXSID8052227Bicyclo[3.1.1]heptane-2-carboxaldehyde, 6,6-dimethyl-10-PinanalMyrtenal, dihydro-EINECS 225-304-2
Show more names
SCHEMBL197428692-Norpinanecarboxaldehyde, 6,6-dimethyl-NS001003846,6-dimethyl-bicyclo[3.1.1]heptane-2-carboxaldehyde6,6-Dimethylbicyclo[3.1.1]heptane-2-carbaldehyde #
Database identifiers
- CAS
4764-14-1- PubChem CID
- 165266
- EC Number
- 225-304-2
- Nikkaji
- J100.024A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 200.7 · 200.7±9.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- LogP
- 2.854 · 2.854 (est)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
河北迪远医药技术有限公司13803176464 · [email protected]
Related reactions
1 records
Compound notes
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