10-Isocyano-6-guaiene; (1β,4β,5α,10β)-form
AlkaPlorer ID: AK302856
Synonym: None
IUPAC Name: 4-isocyano-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulene
Structure
SMILES: [C-]#[N+]C1(C)CCC(C(C)C)=CC2C(C)CCC21
InChI: InChI=1S/C16H25N/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)14(15)10-13/h10-12,14-15H,6-9H2,1-4H3
InChIKey: LMXAELZMLANKHX-UHFFFAOYSA-N
Reference
CAS: 786704-42-5
Source
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Properties Information
Molecule Weight: 231.383
TPSA？: 4.36
MolLogP？: 4.7028900000000045
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 2
Activities Information
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