Structure database (LMSD)

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LM IDLMPR0102070037
Common Namedolichodial
Systematic Name(1R,2S,5S)-2-(1-formylethenyl)-5-methylcyclopentanecarbaldehyde
Synonyms(1R,2S,5S)-2-(1-formylvinyl)-5-methylcyclopentanecarbaldehyde; Dolichodial
Exact Mass
166.0994 (neutral)    Calculate m/z:
FormulaC10H14O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]
PubChem CID442422
KEGG IDC09777
CHEBI ID4685
InChIKeyBORBLDJNKYHVJP-FXBDTBDDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m0/s1
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SMILES
C1[C@]([C@]([H])(C=O)[C@@H](C)C1)([H])C(=C)C=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings1Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
178.86Topological Polar
Surface Area
34.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP1.60Molar
Refractivity
46.65