(3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal

C10H15FO — CID 24974009

IUPAC(3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal
SMILESC/C(=C/F)CC/C=C(\C)CC=O
InChIInChI=1S/C10H15FO/c1-9(6-7-12)4-3-5-10(2)8-11/h4,7-8H,3,5-6H2,1-2H3/b9-4+,10-8-
InChIKeyGIJBXIZYDRBRSY-HMOYTYQUSA-N
MW170.23 g/mol
LogP3.18
Rot. Bonds5

About (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal

(3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal (PubChem CID 24974009) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal.

Molecular Properties

Compound Name(3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal
PubChem CID24974009
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal
SMILESC/C(=C/F)CC/C=C(\C)CC=O
InChIInChI=1S/C10H15FO/c1-9(6-7-12)4-3-5-10(2)8-11/h4,7-8H,3,5-6H2,1-2H3/b9-4+,10-8-
InChIKeyGIJBXIZYDRBRSY-HMOYTYQUSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal with MolForge

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Related Compounds

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(5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene
CID 15119646
(E)-9-bromo-4-methyl-8-oxonon-4-enal
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2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(E)-5-hydroxy-3-methylhex-3-enal
CID 87292200
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115

Frequently Asked Questions

What is the IUPAC name of (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal?
The IUPAC name of (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal (CID 24974009) is (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal.
What is the SMILES notation for (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal?
The canonical SMILES for (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal is C/C(=C/F)CC/C=C(\C)CC=O.
What is the InChIKey of (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal?
The InChIKey is GIJBXIZYDRBRSY-HMOYTYQUSA-N. The full InChI is InChI=1S/C10H15FO/c1-9(6-7-12)4-3-5-10(2)8-11/h4,7-8H,3,5-6H2,1-2H3/b9-4+,10-8-.
What are the key properties of (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal?
(3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal has a molecular weight of 170.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal is sourced from PubChem (CID 24974009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).