7,8-dimethylnon-2-enal

C11H20O — CID 91616525

IUPAC7,8-dimethylnon-2-enal
SMILESCC(C)C(C)CCCC=CC=O
InChIInChI=1S/C11H20O/c1-10(2)11(3)8-6-4-5-7-9-12/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyWJAXSPBFNFSAFV-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.20
Rot. Bonds6

About 7,8-dimethylnon-2-enal

7,8-dimethylnon-2-enal (PubChem CID 91616525) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 7,8-dimethylnon-2-enal.

Molecular Properties

Compound Name7,8-dimethylnon-2-enal
PubChem CID91616525
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name7,8-dimethylnon-2-enal
SMILESCC(C)C(C)CCCC=CC=O
InChIInChI=1S/C11H20O/c1-10(2)11(3)8-6-4-5-7-9-12/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyWJAXSPBFNFSAFV-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.20
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E,7R)-7-hydroxyoct-2-enal
CID 131236706
(E)-13-methyltetradec-2-enal
CID 11333582
(2E,10Z)-trideca-2,10-dienal
CID 129221038
(E)-6-hydroxyhept-2-enal
CID 102460202
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
(4R)-4,5-dimethylhexanal
CID 54430420
(E)-hept-2-enedial
CID 5283323
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
(E)-5-hydroxy-6-methyldec-2-enal
CID 87291408

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylnon-2-enal?
The IUPAC name of 7,8-dimethylnon-2-enal (CID 91616525) is 7,8-dimethylnon-2-enal.
What is the SMILES notation for 7,8-dimethylnon-2-enal?
The canonical SMILES for 7,8-dimethylnon-2-enal is CC(C)C(C)CCCC=CC=O.
What is the InChIKey of 7,8-dimethylnon-2-enal?
The InChIKey is WJAXSPBFNFSAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)11(3)8-6-4-5-7-9-12/h5,7,9-11H,4,6,8H2,1-3H3.
What are the key properties of 7,8-dimethylnon-2-enal?
7,8-dimethylnon-2-enal has a molecular weight of 168.28 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylnon-2-enal is sourced from PubChem (CID 91616525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).