7,8-dimethylnon-8-enal

C11H20O — CID 89233841

IUPAC7,8-dimethylnon-8-enal
SMILESC=C(C)C(C)CCCCCC=O
InChIInChI=1S/C11H20O/c1-10(2)11(3)8-6-4-5-7-9-12/h9,11H,1,4-8H2,2-3H3
InChIKeyJILQTCJXFZUDHZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds7

About 7,8-dimethylnon-8-enal

7,8-dimethylnon-8-enal (PubChem CID 89233841) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 7,8-dimethylnon-8-enal.

Molecular Properties

Compound Name7,8-dimethylnon-8-enal
PubChem CID89233841
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name7,8-dimethylnon-8-enal
SMILESC=C(C)C(C)CCCCCC=O
InChIInChI=1S/C11H20O/c1-10(2)11(3)8-6-4-5-7-9-12/h9,11H,1,4-8H2,2-3H3
InChIKeyJILQTCJXFZUDHZ-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylnon-8-enal?
The IUPAC name of 7,8-dimethylnon-8-enal (CID 89233841) is 7,8-dimethylnon-8-enal.
What is the SMILES notation for 7,8-dimethylnon-8-enal?
The canonical SMILES for 7,8-dimethylnon-8-enal is C=C(C)C(C)CCCCCC=O.
What is the InChIKey of 7,8-dimethylnon-8-enal?
The InChIKey is JILQTCJXFZUDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)11(3)8-6-4-5-7-9-12/h9,11H,1,4-8H2,2-3H3.
What are the key properties of 7,8-dimethylnon-8-enal?
7,8-dimethylnon-8-enal has a molecular weight of 168.28 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylnon-8-enal is sourced from PubChem (CID 89233841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).